D637-0039 Screening compound: 4-[4-(4-butoxybenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine

D637-0039 Screening compound: 4-[4-(4-butoxybenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine
D637-0039 Screening compound: 4-[4-(4-butoxybenzenesulfonyl)piperazin-1-yl]-N-cyclohexyl-6-methylpyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D637-0039
4-[4-(4-butoxybenzenesulfonyl)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

D637-0039

Molecular Formula

C25H37N5O3S (C25 H37 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCOc(cc1)ccc1S(N(CC1)CCN1c1nc(NC2CCCCC2)nc(C)c1)(=O)=O

InChI

InChI=1S/C25H37N5O3S/c1-3-4-18-33-22-10-12-23(13-11-22)34(31,32)30-16-14-29(15-17-30)24-19-20(2)26-25(28-24)27-21-8-6-5-7-9-21/h10-13,19,21H,3-9,14-18H2,1-2H3,(H,26,27,28)

InChI Key

QQAUWVCBMTZWLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.995

Distribution Coefficient, logD

5.987

Water Solubility, LogSw

-5.40

Polar Surface Area

71.563

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

D637-0039 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 D637-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D637-0039?
Check Price and Availability of D637-0039, 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 D637-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D637-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D637-0039
  • 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 D637-0039 available by request