K788-9166 Screening compound: 7-chloro-1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(2-fluorophenyl)-3-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one

K788-9166 Screening compound: 7-chloro-1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(2-fluorophenyl)-3-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one
K788-9166 Screening compound: 7-chloro-1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(2-fluorophenyl)-3-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-9166
7-chloro-1-{[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-5-(2-fluorophenyl)-3-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

K788-9166

Molecular Formula

C27H20Cl2FN3O2 (C27 H20 Cl2 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC1N=C(c(cccc2)c2F)c(cc(cc2)Cl)c2N(Cc2c(C)oc(-c(cccc3)c3Cl)n2)C1=O

InChI

InChI=1S/C27H20Cl2FN3O2/c1-15-27(34)33(14-23-16(2)35-26(32-23)18-7-3-5-9-21(18)29)24-12-11-17(28)13-20(24)25(31-15)19-8-4-6-10-22(19)30/h3-13,15H,14H2,1-2H3/t15-/m0/s1

InChI Key

RZMBYVZVDVKLAY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD15108333

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.38

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

5.647

Distribution Coefficient, logD

5.647

Water Solubility, LogSw

-5.71

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

14.80

K788-9166 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 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 K788-9166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-9166?
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What is the minimum amount of K788-9166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-9166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-9166
  • 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 K788-9166 available by request