8013-3516 Screening compound: methyl 3-hydroxy-5-methoxy-4-(trifluoromethyl)thiophene-2-carboxylate

8013-3516 Screening compound: methyl 3-hydroxy-5-methoxy-4-(trifluoromethyl)thiophene-2-carboxylate
8013-3516 Screening compound: methyl 3-hydroxy-5-methoxy-4-(trifluoromethyl)thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3516
methyl 3-hydroxy-5-methoxy-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

8013-3516

Molecular Formula

C8H7F3O4S (C8 H7 F3 O4 S)

Compound Name

methyl 3-hydroxy-5-methoxy-4-(trifluoromethyl)thiophene-2-carboxylate

IUPAC name

methyl 3-hydroxy-5-methoxy-4-(trifluoromethyl)thiophene-2-carboxylate

SMILES

COC(c(sc(OC)c1C(F)(F)F)c1O)=O

InChI

InChI=1S/C8H7F3O4S/c1-14-6(13)5-4(12)3(8(9,10)11)7(15-2)16-5/h12H,1-2H3

InChI Key

WUHQAKSKDRMUCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

256.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.356

Distribution Coefficient, logD

2.355

Water Solubility, LogSw

-1.93

Polar Surface Area

47.429

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

8013-3516 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8013-3516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3516?
Check Price and Availability of 8013-3516, 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 8013-3516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3516
  • 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 8013-3516 available by request