K062-0031 Screening compound: N-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

K062-0031 Screening compound: N-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
K062-0031 Screening compound: N-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K062-0031
N-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-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

K062-0031

Molecular Formula

C18H16ClF3N4O3 (C18 H16 ClF3 N4 O3)

Compound Name

N-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

IUPAC name

N-(3-chlorophenyl)-4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carboxamide

SMILES

[O-][N+](c(cc(C(F)(F)F)cc1)c1N(CC1)CCN1C(Nc1cccc(Cl)c1)=O)=O

InChI

InChI=1S/C18H16ClF3N4O3/c19-13-2-1-3-14(11-13)23-17(27)25-8-6-24(7-9-25)15-5-4-12(18(20,21)22)10-16(15)26(28)29/h1-5,10-11H,6-9H2,(H,23,27)

InChI Key

BJPFFERUYLKRCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01248586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.619

Distribution Coefficient, logD

4.619

Water Solubility, LogSw

-4.76

Polar Surface Area

61.748

Acid Dissociation Constant (pKa)

12.15

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with K062-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K062-0031?
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What is the minimum amount of K062-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K062-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K062-0031
  • 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 K062-0031 available by request