K788-1607 Screening compound: 10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-N~8~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

Chemical Structure Depiction of ChemDiv screening compound K788-1607
10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-N~8~-methyl-11-oxo-10,11-dihydrodibenzo[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

K788-1607

Molecular Formula

C₂₇H₂₁FN₂O₃S (C27 H21 FN2 O3 S)

Compound Name

10-(2-fluorobenzyl)-N~8~-(2-furylmethyl)-N~8~-methyl-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

IUPAC name

9-[(2-fluorophenyl)methyl]-N-[(furan-2-yl)methyl]-N-methyl-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-carboxamide

SMILES

CN(Cc1ccco1)C(c(cc1)cc(N2Cc(cccc3)c3F)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C27H21FN2O3S/c1-29(17-20-8-6-14-33-20)26(31)18-12-13-25-23(15-18)30(16-19-7-2-4-10-22(19)28)27(32)21-9-3-5-11-24(21)34-25/h2-15H,16-17H2,1H3

InChI Key

DTYDEZSZDYFGSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.331

Water Solubility, LogSw

-5.24

Polar Surface Area

39.300

Acid Dissociation Constant (pK_a)

26.76

Base Dissociation Constant (pK_b)

-4.58

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

11.10

K788-1607 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human Receptors Annotated Library (5376 compounds)

Protein-Protein Interaction Library (218420 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:

Immune system
Antiviral
Infections
Immune system

Mechanism of action:

PPI modulators
PPI modulators

References: we are preparing a list of scientific research reports with K788-1607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1607?
Check Price and Availability of K788-1607, 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 K788-1607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for K788-1607
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for K788-1607

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 K788-1607 available by request