1894-8570 Screening compound: N-(2-chloro-5-nitrophenyl)-4-(5-pentylpyridin-2-yl)benzamide

1894-8570 Screening compound: N-(2-chloro-5-nitrophenyl)-4-(5-pentylpyridin-2-yl)benzamide
1894-8570 Screening compound: N-(2-chloro-5-nitrophenyl)-4-(5-pentylpyridin-2-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1894-8570
N-(2-chloro-5-nitrophenyl)-4-(5-pentylpyridin-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

1894-8570

Molecular Formula

C23H22ClN3O3 (C23 H22 ClN3 O3)

Compound Name

N-(2-chloro-5-nitrophenyl)-4-(5-pentylpyridin-2-yl)benzamide

IUPAC name

N-(2-chloro-5-nitrophenyl)-4-(5-pentylpyridin-2-yl)benzamide

SMILES

CCCCCc(cc1)cnc1-c(cc1)ccc1C(Nc(cc(cc1)[N+]([O-])=O)c1Cl)=O

InChI

InChI=1S/C23H22ClN3O3/c1-2-3-4-5-16-6-13-21(25-15-16)17-7-9-18(10-8-17)23(28)26-22-14-19(27(29)30)11-12-20(22)24/h6-15H,2-5H2,1H3,(H,26,28)

InChI Key

RAKMLGKENONPOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.658

Distribution Coefficient, logD

5.949

Water Solubility, LogSw

-6.35

Polar Surface Area

64.879

Acid Dissociation Constant (pKa)

6.79

Base Dissociation Constant (pKb)

5.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

1894-8570 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1894-8570 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1894-8570?
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What is the minimum amount of 1894-8570 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1894-8570
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1894-8570
  • 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 1894-8570 available by request