K788-1487 Screening compound: 10-(2-chlorobenzyl)-N~8~-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide

K788-1487 Screening compound: 10-(2-chlorobenzyl)-N~8~-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
K788-1487 Screening compound: 10-(2-chlorobenzyl)-N~8~-(2-methoxyethyl)-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-1487
10-(2-chlorobenzyl)-N~8~-(2-methoxyethyl)-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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K788-1487

Molecular Formula

C24H21ClN2O3S (C24 H21 ClN2 O3 S)

Compound Name

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

IUPAC name

9-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)-10-oxo-2-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3571214-hexaene-6-carboxamide

SMILES

COCCNC(c(cc1)cc(N2Cc(cccc3)c3Cl)c1Sc(cccc1)c1C2=O)=O

InChI

InChI=1S/C24H21ClN2O3S/c1-30-13-12-26-23(28)16-10-11-22-20(14-16)27(15-17-6-2-4-8-19(17)25)24(29)18-7-3-5-9-21(18)31-22/h2-11,14H,12-13,15H2,1H3,(H,26,28)

InChI Key

AJHUQYWRQYQEKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.821

Distribution Coefficient, logD

4.821

Water Solubility, LogSw

-4.78

Polar Surface Area

48.269

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K788-1487 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-1487 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-1487?
Check Price and Availability of K788-1487, 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 K788-1487 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-1487
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-1487
  • 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 K788-1487 available by request