8289-3947 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide

8289-3947 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
8289-3947 Screening compound: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8289-3947
N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-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

8289-3947

Molecular Formula

C24H19ClN4O4 (C24 H19 ClN4 O4)

Compound Name

N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide

IUPAC name

N-[3-(5-chloro-13-benzoxazol-2-yl)phenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide

SMILES

[O-][N+](c(cc(cc1)C(Nc2cccc(-c3nc(cc(cc4)Cl)c4o3)c2)=O)c1N1CCCC1)=O

InChI

InChI=1S/C24H19ClN4O4/c25-17-7-9-22-19(14-17)27-24(33-22)16-4-3-5-18(12-16)26-23(30)15-6-8-20(21(13-15)29(31)32)28-10-1-2-11-28/h3-9,12-14H,1-2,10-11H2,(H,26,30)

InChI Key

PEVLWVZJQWQMEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04966592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.644

Distribution Coefficient, logD

5.644

Water Solubility, LogSw

-6.06

Polar Surface Area

76.738

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8289-3947 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 8289-3947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8289-3947?
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What is the minimum amount of 8289-3947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8289-3947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8289-3947
  • 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 8289-3947 available by request