V019-9807 Screening compound: ethyl 4-(2-chlorophenyl)-1-methyl-6-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V019-9807 Screening compound: ethyl 4-(2-chlorophenyl)-1-methyl-6-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V019-9807 Screening compound: ethyl 4-(2-chlorophenyl)-1-methyl-6-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V019-9807
ethyl 4-(2-chlorophenyl)-1-methyl-6-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

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

V019-9807

Molecular Formula

C26H31ClN4O5S (C26 H31 ClN4 O5 S)

Compound Name

ethyl 4-(2-chlorophenyl)-1-methyl-6-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

IUPAC name

ethyl 4-(2-chlorophenyl)-1-methyl-6-{[4-(4-methylbenzenesulfonyl)piperazin-1-yl]methyl}-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1)c1Cl)N1)=C(CN(CC2)CCN2S(c2ccc(C)cc2)(=O)=O)N(C)C1=O)=O

InChI

InChI=1S/C26H31ClN4O5S/c1-4-36-25(32)23-22(29(3)26(33)28-24(23)20-7-5-6-8-21(20)27)17-30-13-15-31(16-14-30)37(34,35)19-11-9-18(2)10-12-19/h5-12,24H,4,13-17H2,1-3H3,(H,28,33)/t24-/m0/s1

InChI Key

XTEITCUXRJOURD-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19812601

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

547.07

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.279

Water Solubility, LogSw

-3.72

Polar Surface Area

84.041

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with V019-9807 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V019-9807?
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What is the minimum amount of V019-9807 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V019-9807
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V019-9807
  • 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 V019-9807 available by request