V013-8749 Screening compound: N~5~-isopentyl-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazino}-5-pyrimidinecarboxamide

V013-8749 Screening compound: N~5~-isopentyl-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazino}-5-pyrimidinecarboxamide
V013-8749 Screening compound: N~5~-isopentyl-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazino}-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-8749
N~5~-isopentyl-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazino}-5-pyrimidinecarboxamide

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

V013-8749

Molecular Formula

C22H28F3N5O2 (C22 H28 F3 N5 O2)

Compound Name

N~5~-isopentyl-4-methoxy-2-{4-[3-(trifluoromethyl)phenyl]piperazino}-5-pyrimidinecarboxamide

IUPAC name

n/a

SMILES

CC(C)CCNC(c(cnc(N(CC1)CCN1c1cccc(C(F)(F)F)c1)n1)c1OC)=O

InChI

InChI=1S/C22H28F3N5O2/c1-15(2)7-8-26-19(31)18-14-27-21(28-20(18)32-3)30-11-9-29(10-12-30)17-6-4-5-16(13-17)22(23,24)25/h4-6,13-15H,7-12H2,1-3H3,(H,26,31)

InChI Key

QQQOHEVMBRDPCL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19893262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.524

Distribution Coefficient, logD

4.523

Water Solubility, LogSw

-4.13

Polar Surface Area

57.799

Acid Dissociation Constant (pKa)

10.72

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V013-8749 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V013-8749 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-8749?
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What is the minimum amount of V013-8749 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-8749
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-8749
  • 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 V013-8749 available by request