K788-9928 Screening compound: ethyl 4-({[10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}amino)benzoate

K788-9928 Screening compound: ethyl 4-({[10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}amino)benzoate
K788-9928 Screening compound: ethyl 4-({[10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9928
ethyl 4-({[10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}amino)benzoate

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

K788-9928

Molecular Formula

C30H23ClN2O5S (C30 H23 ClN2 O5 S)

Compound Name

ethyl 4-({[10-(3-chlorobenzyl)-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepin-8-yl]carbonyl}amino)benzoate

IUPAC name

ethyl 4-{9-[(3-chlorophenyl)methyl]-210-dioxo-2lambda4-thia-9-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaene-6-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(c(cc1)cc(N(Cc2cccc(Cl)c2)C(c2c3cccc2)=O)c1S3=O)=O)=O

InChI

InChI=1S/C30H25ClN2O5S/c1-2-38-30(36)20-10-13-23(14-11-20)32-28(34)21-12-15-27-25(17-21)33(18-19-6-5-7-22(31)16-19)29(35)24-8-3-4-9-26(24)39(27)37/h3-17H,2,18,39H2,1H3,(H,32,34)

InChI Key

DYLICKOZKABDTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15108895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

559.04

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.696

Distribution Coefficient, logD

5.695

Water Solubility, LogSw

-5.72

Polar Surface Area

74.630

Acid Dissociation Constant (pKa)

10.21

Base Dissociation Constant (pKb)

-3.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

K788-9928 in Drug Discovery

Included in Screening Libraries

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:
  • 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 K788-9928 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9928?
Check Price and Availability of K788-9928, 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 K788-9928 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9928
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9928
  • 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 K788-9928 available by request