V020-3672 Screening compound: N-(2-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-(trifluoromethyl)benzamide

V020-3672 Screening compound: N-(2-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-(trifluoromethyl)benzamide
V020-3672 Screening compound: N-(2-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}phenyl)-4-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-3672
N-(2-{3-[(2-chlorophenyl)methyl]-2-oxo-1,3-diazinan-1-yl}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

V020-3672

Molecular Formula

C25H21ClF3N3O2 (C25 H21 ClF3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1ccc(C(F)(F)F)cc1)Nc(cccc1)c1N(CCCN1Cc(cccc2)c2Cl)C1=O

InChI

InChI=1S/C25H21ClF3N3O2/c26-20-7-2-1-6-18(20)16-31-14-5-15-32(24(31)34)22-9-4-3-8-21(22)30-23(33)17-10-12-19(13-11-17)25(27,28)29/h1-4,6-13H,5,14-16H2,(H,30,33)

InChI Key

ZYMOZNWMFVBFFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.946

Distribution Coefficient, logD

5.940

Water Solubility, LogSw

-6.15

Polar Surface Area

41.889

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V020-3672 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 V020-3672 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-3672?
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What is the minimum amount of V020-3672 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-3672
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-3672
  • 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 V020-3672 available by request