V020-3503 Screening compound: N~1~-{4-[3-(2-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-4-(trifluoromethyl)benzamide

V020-3503 Screening compound: N~1~-{4-[3-(2-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-4-(trifluoromethyl)benzamide
V020-3503 Screening compound: N~1~-{4-[3-(2-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3503
N~1~-{4-[3-(2-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-4-(trifluoromethyl)benzamide

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

V020-3503

Molecular Formula

C26H21F3N4O2 (C26 H21 F3 N4 O2)

Compound Name

N~1~-{4-[3-(2-cyanobenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-4-(trifluoromethyl)benzamide

IUPAC name

N-(4-{3-[(2-cyanophenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-4-(trifluoromethyl)benzamide

SMILES

N#Cc1c(CN(CCCN2c(cc3)ccc3NC(c3ccc(C(F)(F)F)cc3)=O)C2=O)cccc1

InChI

InChI=1S/C26H21F3N4O2/c27-26(28,29)21-8-6-18(7-9-21)24(34)31-22-10-12-23(13-11-22)33-15-3-14-32(25(33)35)17-20-5-2-1-4-19(20)16-30/h1-2,4-13H,3,14-15,17H2,(H,31,34)

InChI Key

TZCCSXXUELHIFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.072

Distribution Coefficient, logD

5.072

Water Solubility, LogSw

-4.81

Polar Surface Area

59.944

Acid Dissociation Constant (pKa)

10.90

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V020-3503 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 V020-3503 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3503?
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What is the minimum amount of V020-3503 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3503
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3503
  • 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 V020-3503 available by request