1141-0052 Screening compound: N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide

1141-0052 Screening compound: N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide
1141-0052 Screening compound: N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1141-0052
N-[2-(3-fluorophenyl)-1,3-benzoxazol-5-yl]-4-methyl-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

1141-0052

Molecular Formula

C21H14FN3O4 (C21 H14 FN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(C(Nc(cc1)cc2c1oc(-c1cccc(F)c1)n2)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C21H14FN3O4/c1-12-5-6-13(10-18(12)25(27)28)20(26)23-16-7-8-19-17(11-16)24-21(29-19)14-3-2-4-15(22)9-14/h2-11H,1H3,(H,23,26)

InChI Key

XFMOUVGGDXAXGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00753809

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.36

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

4.937

Distribution Coefficient, logD

4.917

Water Solubility, LogSw

-4.80

Polar Surface Area

73.220

Acid Dissociation Constant (pKa)

8.71

Base Dissociation Constant (pKb)

-2.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

1141-0052 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 1141-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1141-0052?
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What is the minimum amount of 1141-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1141-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1141-0052
  • 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 1141-0052 available by request