2951-0031 Screening compound: 1-benzyl-4-(4-bromobenzoyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one

2951-0031 Screening compound: 1-benzyl-4-(4-bromobenzoyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one
2951-0031 Screening compound: 1-benzyl-4-(4-bromobenzoyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2951-0031
1-benzyl-4-(4-bromobenzoyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-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

2951-0031

Molecular Formula

C24H21BrN2O2 (C24 H21 BrN2 O2)

Compound Name

1-benzyl-4-(4-bromobenzoyl)-3,3-dimethyl-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

1-benzyl-4-(4-bromobenzoyl)-33-dimethyl-1234-tetrahydroquinoxalin-2-one

SMILES

CC1(C)N(C(c(cc2)ccc2Br)=O)c(cccc2)c2N(Cc2ccccc2)C1=O

InChI

InChI=1S/C24H21BrN2O2/c1-24(2)23(29)26(16-17-8-4-3-5-9-17)20-10-6-7-11-21(20)27(24)22(28)18-12-14-19(25)15-13-18/h3-15H,16H2,1-2H3

InChI Key

YZPIPQVLXIHVPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.159

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-5.07

Polar Surface Area

29.330

Acid Dissociation Constant (pKa)

28.68

Base Dissociation Constant (pKb)

-6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

2951-0031 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 2951-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2951-0031?
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What is the minimum amount of 2951-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2951-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2951-0031
  • 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 2951-0031 available by request