V006-6762 Screening compound: N-(3-methylbutan-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

V006-6762 Screening compound: N-(3-methylbutan-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide
V006-6762 Screening compound: N-(3-methylbutan-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-6762
N-(3-methylbutan-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-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

V006-6762

Molecular Formula

C26H29F3N4O (C26 H29 F3 N4 O)

Compound Name

N-(3-methylbutan-2-yl)-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

IUPAC name

N-[(2R)-3-methylbutan-2-yl]-2-{4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}quinoline-4-carboxamide

SMILES

CC(C)[C@@H](C)NC(c1cc(N(CC2)CCN2c2cccc(C(F)(F)F)c2)nc2ccccc12)=O

InChI

InChI=1S/C26H29F3N4O/c1-17(2)18(3)30-25(34)22-16-24(31-23-10-5-4-9-21(22)23)33-13-11-32(12-14-33)20-8-6-7-19(15-20)26(27,28)29/h4-10,15-18H,11-14H2,1-3H3,(H,30,34)/t18-/m1/s1

InChI Key

AAWHFZZMERMCRU-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.658

Distribution Coefficient, logD

6.658

Water Solubility, LogSw

-6.00

Polar Surface Area

38.593

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V006-6762 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-6762?
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What is the minimum amount of V006-6762 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-6762
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-6762
  • 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 V006-6762 available by request