D491-0172 Screening compound: 2-fluorophenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate

D491-0172 Screening compound: 2-fluorophenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate
D491-0172 Screening compound: 2-fluorophenyl 5-chloro-2-(ethanesulfonyl)pyrimidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D491-0172
2-fluorophenyl 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

D491-0172

Molecular Formula

C13H10ClFN2O4S (C13 H10 ClFN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCS(c(nc1)nc(C(Oc(cccc2)c2F)=O)c1Cl)(=O)=O

InChI

InChI=1S/C13H10ClFN2O4S/c1-2-22(19,20)13-16-7-8(14)11(17-13)12(18)21-10-6-4-3-5-9(10)15/h3-7H,2H2,1H3

InChI Key

LYQOHYUAJWLXDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07537431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.75

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

2.460

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-3.04

Polar Surface Area

69.152

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

-9.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D491-0172 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D491-0172 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D491-0172?
Check Price and Availability of D491-0172, 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 D491-0172 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D491-0172
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D491-0172
  • 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 D491-0172 available by request