C071-0857 Screening compound: methyl 3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanoate

C071-0857 Screening compound: methyl 3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanoate
C071-0857 Screening compound: methyl 3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C071-0857
methyl 3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanoate

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

C071-0857

Molecular Formula

C13H11F3N2O4S2 (C13 H11 F3 N2 O4 S2)

Compound Name

methyl 3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanoate

IUPAC name

methyl 3-{[4-(thiophen-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl}propanoate

SMILES

COC(CCS(c1nc(-c2cccs2)cc(C(F)(F)F)n1)(=O)=O)=O

InChI

InChI=1S/C13H11F3N2O4S2/c1-22-11(19)4-6-24(20,21)12-17-8(9-3-2-5-23-9)7-10(18-12)13(14,15)16/h2-3,5,7H,4,6H2,1H3

InChI Key

SEBPEWXCRMOLNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06164257

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.586

Distribution Coefficient, logD

2.586

Water Solubility, LogSw

-2.94

Polar Surface Area

68.721

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C071-0857 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Anti-HIV1 Library (19540 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C071-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C071-0857?
Check Price and Availability of C071-0857, 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 C071-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C071-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C071-0857
  • 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 C071-0857 available by request