2951-0042 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one

2951-0042 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one
2951-0042 Screening compound: 1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2951-0042
1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-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

2951-0042

Molecular Formula

C26H25N3O4 (C26 H25 N3 O4)

Compound Name

1-[(2,4-dimethylphenyl)methyl]-3,3-dimethyl-4-(3-nitrobenzoyl)-1,2,3,4-tetrahydroquinoxalin-2-one

IUPAC name

1-[(24-dimethylphenyl)methyl]-33-dimethyl-4-(3-nitrobenzoyl)-1234-tetrahydroquinoxalin-2-one

SMILES

CC1(C)N(C(c2cccc([N+]([O-])=O)c2)=O)c(cccc2)c2N(Cc2c(C)cc(C)cc2)C1=O

InChI

InChI=1S/C26H25N3O4/c1-17-12-13-20(18(2)14-17)16-27-22-10-5-6-11-23(22)28(26(3,4)25(27)31)24(30)19-8-7-9-21(15-19)29(32)33/h5-15H,16H2,1-4H3

InChI Key

BXKNIUIMGYHQRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02214366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.094

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-4.91

Polar Surface Area

62.711

Acid Dissociation Constant (pKa)

28.31

Base Dissociation Constant (pKb)

-6.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 2951-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2951-0042?
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What is the minimum amount of 2951-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2951-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2951-0042
  • 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 2951-0042 available by request