D053-0032 Screening compound: 5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methanesulfonylpyrimidine

D053-0032 Screening compound: 5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methanesulfonylpyrimidine
D053-0032 Screening compound: 5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methanesulfonylpyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0032
5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methanesulfonylpyrimidine

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

D053-0032

Molecular Formula

C16H16Cl2N4O3S (C16 H16 Cl2 N4 O3 S)

Compound Name

5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methanesulfonylpyrimidine

IUPAC name

5-chloro-4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methanesulfonylpyrimidine

SMILES

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

InChI

InChI=1S/C16H16Cl2N4O3S/c1-26(24,25)16-19-10-13(18)14(20-16)15(23)22-7-5-21(6-8-22)12-4-2-3-11(17)9-12/h2-4,9-10H,5-8H2,1H3

InChI Key

ZMIJRDRLJCMQAQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.040

Distribution Coefficient, logD

2.040

Water Solubility, LogSw

-2.78

Polar Surface Area

69.309

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D053-0032 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D053-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0032?
Check Price and Availability of D053-0032, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D053-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0032
  • 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 D053-0032 available by request