4130-1052 Screening compound: N-benzyl-4-methyl-3-nitro-N-(pyridin-2-yl)benzamide

4130-1052 Screening compound: N-benzyl-4-methyl-3-nitro-N-(pyridin-2-yl)benzamide
4130-1052 Screening compound: N-benzyl-4-methyl-3-nitro-N-(pyridin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-1052
N-benzyl-4-methyl-3-nitro-N-(pyridin-2-yl)benzamide

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

4130-1052

Molecular Formula

C20H17N3O3 (C20 H17 N3 O3)

Compound Name

N-benzyl-4-methyl-3-nitro-N-(pyridin-2-yl)benzamide

IUPAC name

N-benzyl-4-methyl-3-nitro-N-(pyridin-2-yl)benzamide

SMILES

Cc(ccc(C(N(Cc1ccccc1)c1ncccc1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C20H17N3O3/c1-15-10-11-17(13-18(15)23(25)26)20(24)22(19-9-5-6-12-21-19)14-16-7-3-2-4-8-16/h2-13H,14H2,1H3

InChI Key

SRCTZSHXHORVLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.355

Distribution Coefficient, logD

4.355

Water Solubility, LogSw

-4.41

Polar Surface Area

57.181

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

4130-1052 in Drug Discovery

Included in Screening Libraries

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4130-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-1052?
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What is the minimum amount of 4130-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-1052
  • 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 4130-1052 available by request