D053-0350 Screening compound: 2-methylpropyl 2-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-carboxylate

D053-0350 Screening compound: 2-methylpropyl 2-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-carboxylate
D053-0350 Screening compound: 2-methylpropyl 2-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D053-0350
2-methylpropyl 2-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-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

D053-0350

Molecular Formula

C16H19ClN4O5S2 (C16 H19 ClN4 O5 S2)

Compound Name

2-methylpropyl 2-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

2-methylpropyl 2-[5-chloro-2-(ethanesulfonyl)pyrimidine-4-amido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCS(c(nc1)nc(C(Nc2nc(C)c(C(OCC(C)C)=O)s2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C16H19ClN4O5S2/c1-5-28(24,25)16-18-6-10(17)11(20-16)13(22)21-15-19-9(4)12(27-15)14(23)26-7-8(2)3/h6,8H,5,7H2,1-4H3,(H,19,21,22)

InChI Key

IIGQZIVCTIGHDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.94

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.293

Distribution Coefficient, logD

0.377

Water Solubility, LogSw

-3.51

Polar Surface Area

103.531

Acid Dissociation Constant (pKa)

4.48

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

D053-0350 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 compounds)

Nucleoside Mimetics Library (2197 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D053-0350 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D053-0350?
Check Price and Availability of D053-0350, 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 D053-0350 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D053-0350
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D053-0350
  • 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 D053-0350 available by request