V012-4359 Screening compound: isopropyl 1-ethyl-4-{4-[(4-fluorobenzoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

V012-4359 Screening compound: isopropyl 1-ethyl-4-{4-[(4-fluorobenzoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
V012-4359 Screening compound: isopropyl 1-ethyl-4-{4-[(4-fluorobenzoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-4359
isopropyl 1-ethyl-4-{4-[(4-fluorobenzoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

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

V012-4359

Molecular Formula

C24H26FN3O3S (C24 H26 FN3 O3 S)

Compound Name

isopropyl 1-ethyl-4-{4-[(4-fluorobenzoyl)amino]phenyl}-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate

IUPAC name

propan-2-yl 1-ethyl-4-[4-(4-fluorobenzamido)phenyl]-6-methyl-2-sulfanylidene-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCN(C(C)=C(C(c(cc1)ccc1NC(c(cc1)ccc1F)=O)N1)C(OC(C)C)=O)C1=S

InChI

InChI=1S/C24H26FN3O3S/c1-5-28-15(4)20(23(30)31-14(2)3)21(27-24(28)32)16-8-12-19(13-9-16)26-22(29)17-6-10-18(25)11-7-17/h6-14,21H,5H2,1-4H3,(H,26,29)(H,27,32)/t21-/m1/s1

InChI Key

XWNJWQBUCXDSBN-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19723374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.292

Distribution Coefficient, logD

4.291

Water Solubility, LogSw

-4.16

Polar Surface Area

57.996

Acid Dissociation Constant (pKa)

10.41

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.17

References: we are preparing a list of scientific research reports with V012-4359 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-4359?
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What is the minimum amount of V012-4359 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-4359
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-4359
  • 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 V012-4359 available by request