D637-0029 Screening compound: 4-[4-(2,5-difluorobenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

D637-0029 Screening compound: 4-[4-(2,5-difluorobenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine
D637-0029 Screening compound: 4-[4-(2,5-difluorobenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound D637-0029
4-[4-(2,5-difluorobenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-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

D637-0029

Molecular Formula

C22H23F2N5O2S (C22 H23 F2 N5 O2 S)

Compound Name

4-[4-(2,5-difluorobenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

IUPAC name

4-[4-(25-difluorobenzenesulfonyl)piperazin-1-yl]-6-methyl-N-(4-methylphenyl)pyrimidin-2-amine

SMILES

Cc(cc1)ccc1Nc1nc(C)cc(N(CC2)CCN2S(c(cc(cc2)F)c2F)(=O)=O)n1

InChI

InChI=1S/C22H23F2N5O2S/c1-15-3-6-18(7-4-15)26-22-25-16(2)13-21(27-22)28-9-11-29(12-10-28)32(30,31)20-14-17(23)5-8-19(20)24/h3-8,13-14H,9-12H2,1-2H3,(H,25,26,27)

InChI Key

FHPMUIUQVLTZTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27594942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.52

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

5.012

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-4.67

Polar Surface Area

63.097

Acid Dissociation Constant (pKa)

18.25

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

D637-0029 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D637-0029 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D637-0029?
Check Price and Availability of D637-0029, 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 D637-0029 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D637-0029
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D637-0029
  • 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 D637-0029 available by request