D637-0066 Screening compound: 4-[4-(2-chlorobenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine

D637-0066 Screening compound: 4-[4-(2-chlorobenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
D637-0066 Screening compound: 4-[4-(2-chlorobenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D637-0066
4-[4-(2-chlorobenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine

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

D637-0066

Molecular Formula

C21H28ClN5O2S (C21 H28 ClN5 O2 S)

Compound Name

4-[4-(2-chlorobenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine

IUPAC name

4-[4-(2-chlorobenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine

SMILES

Cc1cc(N(CC2)CCN2S(c(cccc2)c2Cl)(=O)=O)nc(NC2CCCCC2)n1

InChI

InChI=1S/C21H28ClN5O2S/c1-16-15-20(25-21(23-16)24-17-7-3-2-4-8-17)26-11-13-27(14-12-26)30(28,29)19-10-6-5-9-18(19)22/h5-6,9-10,15,17H,2-4,7-8,11-14H2,1H3,(H,23,24,25)

InChI Key

FHWZRMALJTZGSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594959

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.721

Distribution Coefficient, logD

4.714

Water Solubility, LogSw

-4.83

Polar Surface Area

64.145

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

D637-0066 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D637-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D637-0066?
Check Price and Availability of D637-0066, 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 D637-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D637-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D637-0066
  • 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 D637-0066 available by request