4130-4967 Screening compound: methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate

4130-4967 Screening compound: methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate
4130-4967 Screening compound: methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4130-4967
methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate

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

4130-4967

Molecular Formula

C21H17N3O5 (C21 H17 N3 O5)

Compound Name

methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate

IUPAC name

methyl 3-[benzyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate

SMILES

COC(c1cc(C(N(Cc2ccccc2)c2ncccc2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C21H17N3O5/c1-29-21(26)17-11-16(12-18(13-17)24(27)28)20(25)23(19-9-5-6-10-22-19)14-15-7-3-2-4-8-15/h2-13H,14H2,1H3

InChI Key

DLCUDTCWMMQWSH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01196949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.38

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.40

Polar Surface Area

78.656

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

4130-4967 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 4130-4967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4130-4967?
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What is the minimum amount of 4130-4967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4130-4967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4130-4967
  • 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 4130-4967 available by request