K788-4161 Screening compound: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,5-dimethylphenyl)acetamide

K788-4161 Screening compound: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,5-dimethylphenyl)acetamide
K788-4161 Screening compound: 2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-4161
2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,5-dimethylphenyl)acetamide

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

K788-4161

Molecular Formula

C26H24ClN3O2 (C26 H24 ClN3 O2)

Compound Name

2-(7-chloro-3-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)-N-(3,5-dimethylphenyl)acetamide

IUPAC name

2-(7-chloro-3-methyl-2-oxo-5-phenyl-23-dihydro-1H-14-benzodiazepin-1-yl)-N-(35-dimethylphenyl)acetamide

SMILES

CC1N=C(c2ccccc2)c(cc(cc2)Cl)c2N(CC(Nc2cc(C)cc(C)c2)=O)C1=O

InChI

InChI=1S/C26H24ClN3O2/c1-16-11-17(2)13-21(12-16)29-24(31)15-30-23-10-9-20(27)14-22(23)25(28-18(3)26(30)32)19-7-5-4-6-8-19/h4-14,18H,15H2,1-3H3,(H,29,31)/t18-/m1/s1

InChI Key

ZFYQLQBDTUHYJZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD15104824

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.840

Distribution Coefficient, logD

4.840

Water Solubility, LogSw

-4.70

Polar Surface Area

46.870

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

2.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.20

K788-4161 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 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:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K788-4161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-4161?
Check Price and Availability of K788-4161, 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 K788-4161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-4161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-4161
  • 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 K788-4161 available by request