D054-0271 Screening compound: methyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate

D054-0271 Screening compound: methyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate
D054-0271 Screening compound: methyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0271
methyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate

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

D054-0271

Molecular Formula

C16H16ClN3O4S2 (C16 H16 ClN3 O4 S2)

Compound Name

methyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate

IUPAC name

methyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate

SMILES

CCSc(nc1)nc(C(Nc2c(C(OC)=O)c(C)c(C(C)=O)s2)=O)c1Cl

InChI

InChI=1S/C16H16ClN3O4S2/c1-5-25-16-18-6-9(17)11(19-16)13(22)20-14-10(15(23)24-4)7(2)12(26-14)8(3)21/h6H,5H2,1-4H3,(H,20,22)

InChI Key

ZPLOEQKXWGCJFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.91

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

-2.059

Water Solubility, LogSw

-3.85

Polar Surface Area

76.710

Acid Dissociation Constant (pKa)

2.00

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D054-0271 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D054-0271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0271?
Check Price and Availability of D054-0271, 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 D054-0271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0271
  • 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 D054-0271 available by request