V029-0427 Screening compound: N-{4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,4-difluorobenzamide

V029-0427 Screening compound: N-{4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,4-difluorobenzamide
V029-0427 Screening compound: N-{4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,4-difluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0427
N-{4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,4-difluorobenzamide

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

V029-0427

Molecular Formula

C25H21F2N3O4 (C25 H21 F2 N3 O4)

Compound Name

N-{4-[3-(1,3-benzodioxol-5-ylmethyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-2,4-difluorobenzamide

IUPAC name

N-(4-{3-[(2H-13-benzodioxol-5-yl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-24-difluorobenzamide

SMILES

O=C(c(ccc(F)c1)c1F)Nc(cc1)ccc1N(CCCN1Cc(cc2)cc3c2OCO3)C1=O

InChI

InChI=1S/C25H21F2N3O4/c26-17-3-8-20(21(27)13-17)24(31)28-18-4-6-19(7-5-18)30-11-1-10-29(25(30)32)14-16-2-9-22-23(12-16)34-15-33-22/h2-9,12-13H,1,10-11,14-15H2,(H,28,31)

InChI Key

IGPBERPSRHZIBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929669

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.46

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

4.423

Distribution Coefficient, logD

4.415

Water Solubility, LogSw

-4.24

Polar Surface Area

60.004

Acid Dissociation Constant (pKa)

9.12

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V029-0427 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-0427 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0427?
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What is the minimum amount of V029-0427 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0427
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0427
  • 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 V029-0427 available by request