K788-8379 Screening compound: N~8~-{2-[benzyl(isopropyl)amino]ethyl}-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K788-8379
N~8~-{2-[benzyl(isopropyl)amino]ethyl}-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-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

K788-8379

Molecular Formula

C₃₃H₃₂ClN₃O₃S (C33 H32 ClN3 O3 S)

Compound Name

N~8~-{2-[benzyl(isopropyl)amino]ethyl}-10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

N-{2-[benzyl(propan-2-yl)amino]ethyl}-9-[(3-chlorophenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(15)3(8)461113-hexaene-6-carboxamide

SMILES

CC(C)N(CCNC(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)=O)Cc1ccccc1

InChI

InChI=1S/C33H34ClN3O3S/c1-23(2)36(21-24-9-4-3-5-10-24)18-17-35-32(38)26-15-16-31-29(20-26)37(22-25-11-8-12-27(34)19-25)33(39)28-13-6-7-14-30(28)41(31)40/h3-16,19-20,23H,17-18,21-22,41H2,1-2H3,(H,35,38)

InChI Key

XSAONJIYESBCQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15107736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.15

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.310

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-5.64

Polar Surface Area

58.637

Acid Dissociation Constant (pK_a)

13.18

Base Dissociation Constant (pK_b)

7.70

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

21.20

K788-8379 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

MCL1 Targeted Library (12200 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Immune system
animal
Antiviral
Infections
Immune system
Digestive system
Respiratory tract
Male
Female
Hemic and lymphatic

Mechanism of action:

PPI modulators
PPI modulators

Structure:

Mimetics

References: we are preparing a list of scientific research reports with K788-8379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-8379?
Check Price and Availability of K788-8379, 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 K788-8379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K788-8379
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K788-8379

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 K788-8379 available by request