V020-1568 Screening compound: ethyl 6-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

V020-1568 Screening compound: ethyl 6-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
V020-1568 Screening compound: ethyl 6-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V020-1568
ethyl 6-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-4-(2,3-dimethoxyphenyl)-1-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

V020-1568

Molecular Formula

C27H33ClN4O7S (C27 H33 ClN4 O7 S)

Compound Name

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

IUPAC name

ethyl 6-{[4-(4-chlorobenzenesulfonyl)piperazin-1-yl]methyl}-4-(23-dimethoxyphenyl)-1-methyl-2-oxo-1234-tetrahydropyrimidine-5-carboxylate

SMILES

CCOC(C(C(c(cccc1OC)c1OC)N1)=C(CN(CC2)CCN2S(c(cc2)ccc2Cl)(=O)=O)N(C)C1=O)=O

InChI

InChI=1S/C27H33ClN4O7S/c1-5-39-26(33)23-21(30(2)27(34)29-24(23)20-7-6-8-22(37-3)25(20)38-4)17-31-13-15-32(16-14-31)40(35,36)19-11-9-18(28)10-12-19/h6-12,24H,5,13-17H2,1-4H3,(H,29,34)/t24-/m1/s1

InChI Key

FQJRJMYISXMWIO-XMMPIXPASA-N

MDL Number (MFCD)

MFCD19813035

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

593.1

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.053

Distribution Coefficient, logD

2.739

Water Solubility, LogSw

-3.61

Polar Surface Area

99.389

Acid Dissociation Constant (pKa)

9.72

Base Dissociation Constant (pKb)

7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

V020-1568 in Drug Discovery

Included in Screening Libraries

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V020-1568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V020-1568?
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What is the minimum amount of V020-1568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V020-1568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V020-1568
  • 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 V020-1568 available by request