2152-0282 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide

2152-0282 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide
2152-0282 Screening compound: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2152-0282
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide

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

2152-0282

Molecular Formula

C20H11ClFN3O4 (C20 H11 ClFN3 O4)

Compound Name

N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-3-nitrobenzamide

IUPAC name

N-[2-(2-chloro-4-fluorophenyl)-13-benzoxazol-5-yl]-3-nitrobenzamide

SMILES

[O-][N+](c1cccc(C(Nc(cc2)cc3c2oc(-c(ccc(F)c2)c2Cl)n3)=O)c1)=O

InChI

InChI=1S/C20H11ClFN3O4/c21-16-9-12(22)4-6-15(16)20-24-17-10-13(5-7-18(17)29-20)23-19(26)11-2-1-3-14(8-11)25(27)28/h1-10H,(H,23,26)

InChI Key

KKNLQDKRSTULBA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00582008

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.78

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

5.094

Water Solubility, LogSw

-5.63

Polar Surface Area

73.521

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2152-0282 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 2152-0282 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2152-0282?
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What is the minimum amount of 2152-0282 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2152-0282
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2152-0282
  • 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 2152-0282 available by request