K788-8312 Screening compound: 10-(3-chlorobenzyl)-N~8~-[3-(3-methylpiperidino)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K788-8312
10-(3-chlorobenzyl)-N~8~-[3-(3-methylpiperidino)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

Available from 1 mg

Formats:

Glass Vials (4ml Glass Vials VWR #97047-678)
96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K788-8312

Molecular Formula

C₃₀H₃₂ClN₃O₄S (C30 H32 ClN3 O4 S)

Compound Name

10-(3-chlorobenzyl)-N~8~-[3-(3-methylpiperidino)propyl]-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(3-chlorophenyl)methyl]-N-[3-(3-methylpiperidin-1-yl)propyl]-2210-trioxo-2lambda6-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CC1CN(CCCNC(c(cc2)cc(N(Cc3cccc(Cl)c3)C(c3c4cccc3)=O)c2S4(=O)=O)=O)CCC1

InChI

InChI=1S/C30H32ClN3O4S/c1-21-7-5-15-33(19-21)16-6-14-32-29(35)23-12-13-28-26(18-23)34(20-22-8-4-9-24(31)17-22)30(36)25-10-2-3-11-27(25)39(28,37)38/h2-4,8-13,17-18,21H,5-7,14-16,19-20H2,1H3,(H,32,35)/t21-/m0/s1

InChI Key

BIODQAZDEDVLGU-NRFANRHFSA-N

MDL Number (MFCD)

MFCD15107676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

4.480

Distribution Coefficient, logD

1.908

Water Solubility, LogSw

-4.45

Polar Surface Area

72.552

Acid Dissociation Constant (pK_a)

14.37

Base Dissociation Constant (pK_b)

9.97

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

33.30

K788-8312 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:

3D
Mimetics

Therapeutical areas:

Cancer
Antiviral
Infections
Immune system
Nervous system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Cancer
Digestive system
Respiratory tract
Nervous system
Eye
Cardiovascular

Targets:

GPCR
Ion Channels
GPCR

Mechanism of action:

PPI modulators
Receptor's ligands
PPI modulators

References: we are preparing a list of scientific research reports with K788-8312 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8312?
Check Price and Availability of K788-8312, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.

What is the minimum amount of K788-8312 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K788-8312
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for K788-8312

0.5–50 mg of dry powder sample in single glass vials, custom vials
DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K788-8312 available by request