D491-0176 Screening compound: phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate

D491-0176 Screening compound: phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
D491-0176 Screening compound: phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-0176
phenyl 5-chloro-2-(ethanesulfonyl)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

D491-0176

Molecular Formula

C13H11ClN2O4S (C13 H11 ClN2 O4 S)

Compound Name

phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate

IUPAC name

phenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate

SMILES

CCS(c(nc1)nc(C(Oc2ccccc2)=O)c1Cl)(=O)=O

InChI

InChI=1S/C13H11ClN2O4S/c1-2-21(18,19)13-15-8-10(14)11(16-13)12(17)20-9-6-4-3-5-7-9/h3-8H,2H2,1H3

InChI Key

QFQJEHRSXOKEPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14832312

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.76

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

2.377

Water Solubility, LogSw

-2.95

Polar Surface Area

69.066

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

-9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D491-0176 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 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 D491-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-0176?
Check Price and Availability of D491-0176, 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 D491-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-0176
  • 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 D491-0176 available by request