C582-0920 Screening compound: N-[(4-chlorophenyl)methyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

C582-0920 Screening compound: N-[(4-chlorophenyl)methyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide
C582-0920 Screening compound: N-[(4-chlorophenyl)methyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0920
N-[(4-chlorophenyl)methyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

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

C582-0920

Molecular Formula

C14H14ClN3O4 (C14 H14 ClN3 O4)

Compound Name

N-[(4-chlorophenyl)methyl]-4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-4-nitro-5-(propan-2-yl)-12-oxazole-3-carboxamide

SMILES

CC(C)c(onc1C(NCc(cc2)ccc2Cl)=O)c1[N+]([O-])=O

InChI

InChI=1S/C14H14ClN3O4/c1-8(2)13-12(18(20)21)11(17-22-13)14(19)16-7-9-3-5-10(15)6-4-9/h3-6,8H,7H2,1-2H3,(H,16,19)

InChI Key

ATMYZOBHTPLOOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.74

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.259

Distribution Coefficient, logD

3.257

Water Solubility, LogSw

-3.75

Polar Surface Area

80.242

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

-6.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

C582-0920 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C582-0920 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0920?
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What is the minimum amount of C582-0920 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0920
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0920
  • 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 C582-0920 available by request