D037-0098 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate

D037-0098 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate
D037-0098 Screening compound: 7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0098
7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 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

D037-0098

Molecular Formula

C19H12O4S2 (C19 H12 O4 S2)

Compound Name

7-(4-methylphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl thiophene-2-carboxylate

IUPAC name

7-(4-methylphenyl)-2-oxo-2H-13-benzoxathiol-5-yl thiophene-2-carboxylate

SMILES

Cc(cc1)ccc1-c1cc(OC(c2cccs2)=O)cc(S2)c1OC2=O

InChI

InChI=1S/C19H12O4S2/c1-11-4-6-12(7-5-11)14-9-13(10-16-17(14)23-19(21)25-16)22-18(20)15-3-2-8-24-15/h2-10H,1H3

InChI Key

VPWPPKONCBADMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645644

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.300

Distribution Coefficient, logD

5.300

Water Solubility, LogSw

-5.40

Polar Surface Area

43.120

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D037-0098 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with D037-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0098?
Check Price and Availability of D037-0098, 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 D037-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0098
  • 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 D037-0098 available by request