8013-3326 Screening compound: methyl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(trifluoromethyl)thiophene-2-carboxylate

8013-3326 Screening compound: methyl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(trifluoromethyl)thiophene-2-carboxylate
8013-3326 Screening compound: methyl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(trifluoromethyl)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3326
methyl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(trifluoromethyl)thiophene-2-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

8013-3326

Molecular Formula

C10H9F3O5S2 (C10 H9 F3 O5 S2)

Compound Name

methyl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(trifluoromethyl)thiophene-2-carboxylate

IUPAC name

methyl 3-hydroxy-5-[(2-methoxy-2-oxoethyl)sulfanyl]-4-(trifluoromethyl)thiophene-2-carboxylate

SMILES

COC(CSc1c(C(F)(F)F)c(O)c(C(OC)=O)s1)=O

InChI

InChI=1S/C10H9F3O5S2/c1-17-4(14)3-19-9-5(10(11,12)13)6(15)7(20-9)8(16)18-2/h15H,3H2,1-2H3

InChI Key

HACRDSTWVCAUQY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03694146

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.31

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.738

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-2.63

Polar Surface Area

58.489

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8013-3326 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-3326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3326?
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What is the minimum amount of 8013-3326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3326
  • 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 8013-3326 available by request