D054-0425 Screening compound: methyl 4-[5-chloro-2-(propylsulfanyl)pyrimidine-4-amido]benzoate

D054-0425 Screening compound: methyl 4-[5-chloro-2-(propylsulfanyl)pyrimidine-4-amido]benzoate
D054-0425 Screening compound: methyl 4-[5-chloro-2-(propylsulfanyl)pyrimidine-4-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0425
methyl 4-[5-chloro-2-(propylsulfanyl)pyrimidine-4-amido]benzoate

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

D054-0425

Molecular Formula

C16H16ClN3O3S (C16 H16 ClN3 O3 S)

Compound Name

methyl 4-[5-chloro-2-(propylsulfanyl)pyrimidine-4-amido]benzoate

IUPAC name

methyl 4-[5-chloro-2-(propylsulfanyl)pyrimidine-4-amido]benzoate

SMILES

CCCSc(nc1)nc(C(Nc(cc2)ccc2C(OC)=O)=O)c1Cl

InChI

InChI=1S/C16H16ClN3O3S/c1-3-8-24-16-18-9-12(17)13(20-16)14(21)19-11-6-4-10(5-7-11)15(22)23-2/h4-7,9H,3,8H2,1-2H3,(H,19,21)

InChI Key

CSOSOGAOFOCCAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06630125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.84

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.162

Distribution Coefficient, logD

4.111

Water Solubility, LogSw

-4.35

Polar Surface Area

63.089

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D054-0425 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D054-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0425?
Check Price and Availability of D054-0425, 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 D054-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0425
  • 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 D054-0425 available by request