D491-0198 Screening compound: 2,3-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate

D491-0198 Screening compound: 2,3-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate
D491-0198 Screening compound: 2,3-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-0198
2,3-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-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

D491-0198

Molecular Formula

C16H17ClN2O4S (C16 H17 ClN2 O4 S)

Compound Name

2,3-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate

IUPAC name

23-dimethylphenyl 5-chloro-2-(propane-1-sulfonyl)pyrimidine-4-carboxylate

SMILES

CCCS(c(nc1)nc(C(Oc2c(C)c(C)ccc2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C16H17ClN2O4S/c1-4-8-24(21,22)16-18-9-12(17)14(19-16)15(20)23-13-7-5-6-10(2)11(13)3/h5-7,9H,4,8H2,1-3H3

InChI Key

KWEZEWVBITUGGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07537472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.84

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.673

Distribution Coefficient, logD

3.673

Water Solubility, LogSw

-3.93

Polar Surface Area

69.152

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

-8.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

D491-0198 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D491-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-0198?
Check Price and Availability of D491-0198, 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 D491-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-0198
  • 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 D491-0198 available by request