D637-0052 Screening compound: 4-(4-{[1,1'-biphenyl]-4-sulfonyl}piperazin-1-yl)-N-cyclohexyl-6-methylpyrimidin-2-amine

D637-0052 Screening compound: 4-(4-{[1,1'-biphenyl]-4-sulfonyl}piperazin-1-yl)-N-cyclohexyl-6-methylpyrimidin-2-amine
D637-0052 Screening compound: 4-(4-{[1,1'-biphenyl]-4-sulfonyl}piperazin-1-yl)-N-cyclohexyl-6-methylpyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D637-0052
4-(4-{[1,1'-biphenyl]-4-sulfonyl}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

D637-0052

Molecular Formula

C27H33N5O2S (C27 H33 N5 O2 S)

Compound Name

4-(4-{[1,1'-biphenyl]-4-sulfonyl}piperazin-1-yl)-N-cyclohexyl-6-methylpyrimidin-2-amine

IUPAC name

4-(4-{[11'-biphenyl]-4-sulfonyl}piperazin-1-yl)-N-cyclohexyl-6-methylpyrimidin-2-amine

SMILES

Cc1cc(N(CC2)CCN2S(c(cc2)ccc2-c2ccccc2)(=O)=O)nc(NC2CCCCC2)n1

InChI

InChI=1S/C27H33N5O2S/c1-21-20-26(30-27(28-21)29-24-10-6-3-7-11-24)31-16-18-32(19-17-31)35(33,34)25-14-12-23(13-15-25)22-8-4-2-5-9-22/h2,4-5,8-9,12-15,20,24H,3,6-7,10-11,16-19H2,1H3,(H,28,29,30)

InChI Key

FIKPMVKAKGFOOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.281

Distribution Coefficient, logD

6.274

Water Solubility, LogSw

-5.60

Polar Surface Area

63.873

Acid Dissociation Constant (pKa)

17.79

Base Dissociation Constant (pKb)

5.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

D637-0052 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D637-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D637-0052?
Check Price and Availability of D637-0052, 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 D637-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D637-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D637-0052
  • 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 D637-0052 available by request