D053-0200 Screening compound: 5-chloro-4-[4-(diphenylmethyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine

D053-0200 Screening compound: 5-chloro-4-[4-(diphenylmethyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine
D053-0200 Screening compound: 5-chloro-4-[4-(diphenylmethyl)piperazine-1-carbonyl]-2-(propane-1-sulfonyl)pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0200
5-chloro-4-[4-(diphenylmethyl)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

D053-0200

Molecular Formula

C25H27ClN4O3S (C25 H27 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCS(c(nc1)nc(C(N(CC2)CCN2C(c2ccccc2)c2ccccc2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C25H27ClN4O3S/c1-2-17-34(32,33)25-27-18-21(26)22(28-25)24(31)30-15-13-29(14-16-30)23(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,18,23H,2,13-17H2,1H3

InChI Key

VKPGMMHAXNHODG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.187

Distribution Coefficient, logD

4.185

Water Solubility, LogSw

-4.34

Polar Surface Area

67.897

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

D053-0200 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS Targets (44014 compounds)

DGK Inhibitors Library (10558 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D053-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0200?
Check Price and Availability of D053-0200, 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 D053-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0200
  • 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 D053-0200 available by request