D287-0057 Screening compound: 4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

D287-0057 Screening compound: 4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile
D287-0057 Screening compound: 4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D287-0057
4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

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

D287-0057

Molecular Formula

C23H23N5S (C23 H23 N5 S)

Compound Name

4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

IUPAC name

4-(4-benzylpiperazin-1-yl)-2-(methylsulfanyl)-6-phenylpyrimidine-5-carbonitrile

SMILES

CSc(nc1-c2ccccc2)nc(N2CCN(Cc3ccccc3)CC2)c1C#N

InChI

InChI=1S/C23H23N5S/c1-29-23-25-21(19-10-6-3-7-11-19)20(16-24)22(26-23)28-14-12-27(13-15-28)17-18-8-4-2-5-9-18/h2-11H,12-15,17H2,1H3

InChI Key

XHUALLGEFGFCAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08154831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.649

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.44

Polar Surface Area

42.013

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

6.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D287-0057 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D287-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D287-0057?
Check Price and Availability of D287-0057, 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 D287-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D287-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D287-0057
  • 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 D287-0057 available by request