V021-1319 Screening compound: N~1~-{2-[3-(3,5-dimethylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-(trifluoromethyl)benzamide

V021-1319 Screening compound: N~1~-{2-[3-(3,5-dimethylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-(trifluoromethyl)benzamide
V021-1319 Screening compound: N~1~-{2-[3-(3,5-dimethylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-1319
N~1~-{2-[3-(3,5-dimethylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-(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

V021-1319

Molecular Formula

C27H26F3N3O2 (C27 H26 F3 N3 O2)

Compound Name

N~1~-{2-[3-(3,5-dimethylbenzyl)-2-oxotetrahydro-1(2H)-pyrimidinyl]phenyl}-3-(trifluoromethyl)benzamide

IUPAC name

N-(2-{3-[(35-dimethylphenyl)methyl]-2-oxo-13-diazinan-1-yl}phenyl)-3-(trifluoromethyl)benzamide

SMILES

Cc1cc(CN(CCCN2c(cccc3)c3NC(c3cccc(C(F)(F)F)c3)=O)C2=O)cc(C)c1

InChI

InChI=1S/C27H26F3N3O2/c1-18-13-19(2)15-20(14-18)17-32-11-6-12-33(26(32)35)24-10-4-3-9-23(24)31-25(34)21-7-5-8-22(16-21)27(28,29)30/h3-5,7-10,13-16H,6,11-12,17H2,1-2H3,(H,31,34)

InChI Key

RDUYWFYAXUKFDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19929957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.52

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

6.386

Distribution Coefficient, logD

6.369

Water Solubility, LogSw

-5.67

Polar Surface Area

41.889

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-0.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V021-1319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-1319?
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What is the minimum amount of V021-1319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-1319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-1319
  • 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 V021-1319 available by request