K788-5380 Screening compound: 2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N~1~-isopentylacetamide

K788-5380 Screening compound: 2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N~1~-isopentylacetamide
K788-5380 Screening compound: 2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N~1~-isopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-5380
2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N~1~-isopentylacetamide

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

K788-5380

Molecular Formula

C22H24ClN3O2 (C22 H24 ClN3 O2)

Compound Name

2-(7-chloro-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N~1~-isopentylacetamide

IUPAC name

2-(7-chloro-2-oxo-5-phenyl-23-dihydro-1H-14-benzodiazepin-1-yl)-N-(3-methylbutyl)acetamide

SMILES

CC(C)CCNC(CN(c(ccc(Cl)c1)c1C(c1ccccc1)=NC1)C1=O)=O

InChI

InChI=1S/C22H24ClN3O2/c1-15(2)10-11-24-20(27)14-26-19-9-8-17(23)12-18(19)22(25-13-21(26)28)16-6-4-3-5-7-16/h3-9,12,15H,10-11,13-14H2,1-2H3,(H,24,27)

InChI Key

ZYLHMFUJVKUGFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15105680

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.90

Polar Surface Area

48.526

Acid Dissociation Constant (pKa)

14.28

Base Dissociation Constant (pKb)

4.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

K788-5380 in Drug Discovery

Included in Screening Libraries

Bromodomain Modulators Library (5801 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K788-5380 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-5380?
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What is the minimum amount of K788-5380 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-5380
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-5380
  • 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 K788-5380 available by request