D054-0157 Screening compound: 2,4-diethyl 5-[5-chloro-2-(methylsulfanyl)pyrimidine-4-amido]-3-methylthiophene-2,4-dicarboxylate

D054-0157 Screening compound: 2,4-diethyl 5-[5-chloro-2-(methylsulfanyl)pyrimidine-4-amido]-3-methylthiophene-2,4-dicarboxylate
D054-0157 Screening compound: 2,4-diethyl 5-[5-chloro-2-(methylsulfanyl)pyrimidine-4-amido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0157
2,4-diethyl 5-[5-chloro-2-(methylsulfanyl)pyrimidine-4-amido]-3-methylthiophene-2,4-dicarboxylate

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

D054-0157

Molecular Formula

C17H18ClN3O5S2 (C17 H18 ClN3 O5 S2)

Compound Name

2,4-diethyl 5-[5-chloro-2-(methylsulfanyl)pyrimidine-4-amido]-3-methylthiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 5-[5-chloro-2-(methylsulfanyl)pyrimidine-4-amido]-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(c(nc(nc2)SC)c2Cl)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C17H18ClN3O5S2/c1-5-25-15(23)10-8(3)12(16(24)26-6-2)28-14(10)21-13(22)11-9(18)7-19-17(20-11)27-4/h7H,5-6H2,1-4H3,(H,21,22)

InChI Key

MFUFWDNRWZRKHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06632675

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.93

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.926

Distribution Coefficient, logD

-0.742

Water Solubility, LogSw

-4.52

Polar Surface Area

83.217

Acid Dissociation Constant (pKa)

2.73

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D054-0157 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D054-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0157?
Check Price and Availability of D054-0157, 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 D054-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0157
  • 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 D054-0157 available by request