D053-0331 Screening compound: 2,4-diethyl 5-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-3-methylthiophene-2,4-dicarboxylate

D053-0331 Screening compound: 2,4-diethyl 5-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-3-methylthiophene-2,4-dicarboxylate
D053-0331 Screening compound: 2,4-diethyl 5-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-3-methylthiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0331
2,4-diethyl 5-[5-chloro-2-(ethanesulfonyl)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

D053-0331

Molecular Formula

C18H20ClN3O7S2 (C18 H20 ClN3 O7 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H20ClN3O7S2/c1-5-28-16(24)11-9(4)13(17(25)29-6-2)30-15(11)22-14(23)12-10(19)8-20-18(21-12)31(26,27)7-3/h8H,5-7H2,1-4H3,(H,22,23)

InChI Key

JMYRXOCUUDAIJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.96

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.907

Distribution Coefficient, logD

-2.867

Water Solubility, LogSw

-3.73

Polar Surface Area

113.081

Acid Dissociation Constant (pKa)

1.63

Base Dissociation Constant (pKb)

-9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.90

D053-0331 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

Targeted Diversity Library (40567 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D053-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0331?
Check Price and Availability of D053-0331, 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 D053-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0331
  • 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 D053-0331 available by request