D053-0203 Screening compound: 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine

D053-0203 Screening compound: 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine
D053-0203 Screening compound: 5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0203
5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine

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

D053-0203

Molecular Formula

C19H23ClN4O4S (C19 H23 ClN4 O4 S)

Compound Name

5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine

IUPAC name

5-chloro-4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine

SMILES

CCCS(c(nc1)nc(C(N(CC2)CCN2c(cccc2)c2OC)=O)c1Cl)(=O)=O

InChI

InChI=1S/C19H23ClN4O4S/c1-3-12-29(26,27)19-21-13-14(20)17(22-19)18(25)24-10-8-23(9-11-24)15-6-4-5-7-16(15)28-2/h4-7,13H,3,8-12H2,1-2H3

InChI Key

PNIJEONWJGOSNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06651362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.562

Distribution Coefficient, logD

2.562

Water Solubility, LogSw

-2.90

Polar Surface Area

75.926

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

5.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

D053-0203 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D053-0203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0203?
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What is the minimum amount of D053-0203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0203
  • 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 D053-0203 available by request