V004-9757 Screening compound: N~5~-cyclohexyl-2-(4-fluorophenyl)-N~5~-methyl-4-piperidino-5-pyrimidinecarboxamide

V004-9757 Screening compound: N~5~-cyclohexyl-2-(4-fluorophenyl)-N~5~-methyl-4-piperidino-5-pyrimidinecarboxamide
V004-9757 Screening compound: N~5~-cyclohexyl-2-(4-fluorophenyl)-N~5~-methyl-4-piperidino-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-9757
N~5~-cyclohexyl-2-(4-fluorophenyl)-N~5~-methyl-4-piperidino-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

V004-9757

Molecular Formula

C23H29FN4O (C23 H29 FN4 O)

Compound Name

N~5~-cyclohexyl-2-(4-fluorophenyl)-N~5~-methyl-4-piperidino-5-pyrimidinecarboxamide

IUPAC name

N-cyclohexyl-2-(4-fluorophenyl)-N-methyl-4-(piperidin-1-yl)pyrimidine-5-carboxamide

SMILES

CN(C1CCCCC1)C(c1c(N2CCCCC2)nc(-c(cc2)ccc2F)nc1)=O

InChI

InChI=1S/C23H29FN4O/c1-27(19-8-4-2-5-9-19)23(29)20-16-25-21(17-10-12-18(24)13-11-17)26-22(20)28-14-6-3-7-15-28/h10-13,16,19H,2-9,14-15H2,1H3

InChI Key

NBDUBHUQOPEOBI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14254430

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

396.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.103

Distribution Coefficient, logD

5.103

Water Solubility, LogSw

-4.73

Polar Surface Area

37.647

Acid Dissociation Constant (pKa)

22.72

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.17

V004-9757 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V004-9757 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-9757?
Check Price and Availability of V004-9757, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V004-9757 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-9757
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-9757
  • 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 V004-9757 available by request