D053-0235 Screening compound: ethyl 2-(5-chloro-2-methanesulfonylpyrimidine-4-amido)-4-phenylthiophene-3-carboxylate

D053-0235 Screening compound: ethyl 2-(5-chloro-2-methanesulfonylpyrimidine-4-amido)-4-phenylthiophene-3-carboxylate
D053-0235 Screening compound: ethyl 2-(5-chloro-2-methanesulfonylpyrimidine-4-amido)-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0235
ethyl 2-(5-chloro-2-methanesulfonylpyrimidine-4-amido)-4-phenylthiophene-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

D053-0235

Molecular Formula

C19H16ClN3O5S2 (C19 H16 ClN3 O5 S2)

Compound Name

ethyl 2-(5-chloro-2-methanesulfonylpyrimidine-4-amido)-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-(5-chloro-2-methanesulfonylpyrimidine-4-amido)-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(nc(nc2)S(C)(=O)=O)c2Cl)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C19H16ClN3O5S2/c1-3-28-18(25)14-12(11-7-5-4-6-8-11)10-29-17(14)23-16(24)15-13(20)9-21-19(22-15)30(2,26)27/h4-10H,3H2,1-2H3,(H,23,24)

InChI Key

NYROPFZCSZLUGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647158

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.94

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

0.874

Water Solubility, LogSw

-4.01

Polar Surface Area

92.768

Acid Dissociation Constant (pKa)

5.07

Base Dissociation Constant (pKb)

-9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

D053-0235 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D053-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0235?
Check Price and Availability of D053-0235, 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 D053-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0235
  • 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 D053-0235 available by request