D037-0553 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate

D037-0553 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate
D037-0553 Screening compound: 7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D037-0553
7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-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

D037-0553

Molecular Formula

C25H18O6S (C25 H18 O6 S)

Compound Name

7-(4-methoxyphenyl)-2-oxo-2H-1,3-benzoxathiol-5-yl 3,5-dimethyl-1-benzofuran-2-carboxylate

IUPAC name

7-(4-methoxyphenyl)-2-oxo-2H-13-benzoxathiol-5-yl 35-dimethyl-1-benzofuran-2-carboxylate

SMILES

Cc1c(C(Oc(cc2-c(cc3)ccc3OC)cc(S3)c2OC3=O)=O)oc2c1cc(C)cc2

InChI

InChI=1S/C25H18O6S/c1-13-4-9-20-18(10-13)14(2)22(30-20)24(26)29-17-11-19(15-5-7-16(28-3)8-6-15)23-21(12-17)32-25(27)31-23/h4-12H,1-3H3

InChI Key

MTEREPJQPANINB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06645643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.409

Distribution Coefficient, logD

6.409

Water Solubility, LogSw

-5.79

Polar Surface Area

58.171

Acid Dissociation Constant (pKa)

27.55

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

References: we are preparing a list of scientific research reports with D037-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D037-0553?
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What is the minimum amount of D037-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D037-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D037-0553
  • 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 D037-0553 available by request