K788-9424 Screening compound: 7-chloro-5-(2-fluorophenyl)-3-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one

K788-9424 Screening compound: 7-chloro-5-(2-fluorophenyl)-3-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one
K788-9424 Screening compound: 7-chloro-5-(2-fluorophenyl)-3-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9424
7-chloro-5-(2-fluorophenyl)-3-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one

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

K788-9424

Molecular Formula

C28H23ClFN3O2 (C28 H23 ClFN3 O2)

Compound Name

7-chloro-5-(2-fluorophenyl)-3-methyl-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-2,3-dihydro-1H-1,4-benzodiazepin-2-one

IUPAC name

7-chloro-5-(2-fluorophenyl)-3-methyl-1-{[5-methyl-2-(3-methylphenyl)-13-oxazol-4-yl]methyl}-23-dihydro-1H-14-benzodiazepin-2-one

SMILES

CC1N=C(c(cccc2)c2F)c(cc(cc2)Cl)c2N(Cc2c(C)oc(-c3cc(C)ccc3)n2)C1=O

InChI

InChI=1S/C28H23ClFN3O2/c1-16-7-6-8-19(13-16)27-32-24(18(3)35-27)15-33-25-12-11-20(29)14-22(25)26(31-17(2)28(33)34)21-9-4-5-10-23(21)30/h4-14,17H,15H2,1-3H3/t17-/m1/s1

InChI Key

PNZHQLRVBFWBMN-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD15108507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.96

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-5.80

Polar Surface Area

41.842

Acid Dissociation Constant (pKa)

24.30

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.90

K788-9424 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiparasite Library (23996 compounds)

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

Bromodomain Modulators Library (5801 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-9424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9424?
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What is the minimum amount of K788-9424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9424
  • 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 K788-9424 available by request