C582-0946 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine

C582-0946 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine
C582-0946 Screening compound: 1-(5-chloro-2-methylphenyl)-4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C582-0946
1-(5-chloro-2-methylphenyl)-4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine

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

C582-0946

Molecular Formula

C18H21ClN4O4 (C18 H21 ClN4 O4)

Compound Name

1-(5-chloro-2-methylphenyl)-4-[4-nitro-5-(propan-2-yl)-1,2-oxazole-3-carbonyl]piperazine

IUPAC name

1-(5-chloro-2-methylphenyl)-4-[4-nitro-5-(propan-2-yl)-12-oxazole-3-carbonyl]piperazine

SMILES

CC(C)c(onc1C(N(CC2)CCN2c2c(C)ccc(Cl)c2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C18H21ClN4O4/c1-11(2)17-16(23(25)26)15(20-27-17)18(24)22-8-6-21(7-9-22)14-10-13(19)5-4-12(14)3/h4-5,10-11H,6-9H2,1-3H3

InChI Key

RPQISZGFRAQPFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14772872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.142

Distribution Coefficient, logD

4.142

Water Solubility, LogSw

-4.47

Polar Surface Area

75.436

Acid Dissociation Constant (pKa)

23.47

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

C582-0946 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 C582-0946 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C582-0946?
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What is the minimum amount of C582-0946 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C582-0946
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C582-0946
  • 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 C582-0946 available by request