8015-3333 Screening compound: bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylic acid

8015-3333 Screening compound: bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylic acid
8015-3333 Screening compound: bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3333
bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylic acid

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

8015-3333

Molecular Formula

C10H12O8S (C10 H12 O8 S)

Compound Name

bis(2-hydroxyethoxy)thiophene-2,5-dicarboxylic acid

IUPAC name

bis(2-hydroxyethoxy)thiophene-25-dicarboxylic acid

SMILES

OCCOc1c(C(O)=O)sc(C(O)=O)c1OCCO

InChI

InChI=1S/C10H12O8S/c11-1-3-17-5-6(18-4-2-12)8(10(15)16)19-7(5)9(13)14/h11-12H,1-4H2,(H,13,14)(H,15,16)

InChI Key

BHSBEDLIHYBLJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04060734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.27

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.713

Distribution Coefficient, logD

-5.265

Water Solubility, LogSw

-0.27

Polar Surface Area

106.566

Acid Dissociation Constant (pKa)

3.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8015-3333 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-3333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3333?
Check Price and Availability of 8015-3333, 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 8015-3333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3333
  • 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 8015-3333 available by request