D054-0265 Screening compound: ethyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate

D054-0265 Screening compound: ethyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate
D054-0265 Screening compound: ethyl 5-acetyl-2-[5-chloro-2-(ethylsulfanyl)pyrimidine-4-amido]-4-methylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0265
ethyl 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

D054-0265

Molecular Formula

C17H18ClN3O4S2 (C17 H18 ClN3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H18ClN3O4S2/c1-5-25-16(24)11-8(3)13(9(4)22)27-15(11)21-14(23)12-10(18)7-19-17(20-12)26-6-2/h7H,5-6H2,1-4H3,(H,21,23)

InChI Key

JAYJRRPXSYAMRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.722

Distribution Coefficient, logD

-1.676

Water Solubility, LogSw

-4.31

Polar Surface Area

76.290

Acid Dissociation Constant (pKa)

2.00

Base Dissociation Constant (pKb)

-3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

D054-0265 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D054-0265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0265?
Check Price and Availability of D054-0265, 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 D054-0265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0265
  • 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 D054-0265 available by request