D053-0202 Screening compound: 5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine

D053-0202 Screening compound: 5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine
D053-0202 Screening compound: 5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0202
5-chloro-4-[4-(3-chlorophenyl)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

D053-0202

Molecular Formula

C18H20Cl2N4O3S (C18 H20 Cl2 N4 O3 S)

Compound Name

5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine

IUPAC name

5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine

SMILES

CCCS(c(nc1)nc(C(N(CC2)CCN2c2cc(Cl)ccc2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C18H20Cl2N4O3S/c1-2-10-28(26,27)18-21-12-15(20)16(22-18)17(25)24-8-6-23(7-9-24)14-5-3-4-13(19)11-14/h3-5,11-12H,2,6-10H2,1H3

InChI Key

DCNWEKHGDBBPSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.145

Distribution Coefficient, logD

3.145

Water Solubility, LogSw

-3.33

Polar Surface Area

68.596

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D053-0202 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 D053-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0202?
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What is the minimum amount of D053-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0202
  • 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 D053-0202 available by request