V029-2743 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-piperidino-5-pyrimidinecarboxamide

V029-2743 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-piperidino-5-pyrimidinecarboxamide
V029-2743 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-piperidino-5-pyrimidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-2743
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-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

V029-2743

Molecular Formula

C24H23FN4O3 (C24 H23 FN4 O3)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-2-(4-fluorophenyl)-4-piperidino-5-pyrimidinecarboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-(4-fluorophenyl)-4-(piperidin-1-yl)pyrimidine-5-carboxamide

SMILES

O=C(c1c(N2CCCCC2)nc(-c(cc2)ccc2F)nc1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H23FN4O3/c25-18-7-5-17(6-8-18)22-26-14-19(23(28-22)29-10-2-1-3-11-29)24(30)27-13-16-4-9-20-21(12-16)32-15-31-20/h4-9,12,14H,1-3,10-11,13,15H2,(H,27,30)

InChI Key

KTYBPILFMSTEJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14254423

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.47

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

4.913

Distribution Coefficient, logD

4.913

Water Solubility, LogSw

-4.63

Polar Surface Area

63.974

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.17

V029-2743 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 V029-2743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-2743?
Check Price and Availability of V029-2743, 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 V029-2743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-2743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-2743
  • 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 V029-2743 available by request