V003-1273 Screening compound: 4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

V003-1273 Screening compound: 4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione
V003-1273 Screening compound: 4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-1273
4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

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

V003-1273

Molecular Formula

C21H18ClFN4O4 (C21 H18 ClFN4 O4)

Compound Name

4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-6-(morpholine-4-carbonyl)-2,3,4,5-tetrahydro-1,2,4-triazine-3,5-dione

IUPAC name

4-[(3-chlorophenyl)methyl]-2-(2-fluorophenyl)-6-(morpholine-4-carbonyl)-2345-tetrahydro-124-triazine-35-dione

SMILES

O=C(C(C(N1Cc2cccc(Cl)c2)=O)=NN(c(cccc2)c2F)C1=O)N1CCOCC1

InChI

InChI=1S/C21H18ClFN4O4/c22-15-5-3-4-14(12-15)13-26-20(29)18(19(28)25-8-10-31-11-9-25)24-27(21(26)30)17-7-2-1-6-16(17)23/h1-7,12H,8-11,13H2

InChI Key

WWDFRQWVQCOIRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19838224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.85

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

2.741

Water Solubility, LogSw

-3.40

Polar Surface Area

66.501

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V003-1273 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 V003-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-1273?
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What is the minimum amount of V003-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-1273
  • 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 V003-1273 available by request