2729-0925 Screening compound: 4-methyl-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl 2-methoxybenzoate

2729-0925 Screening compound: 4-methyl-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl 2-methoxybenzoate
2729-0925 Screening compound: 4-methyl-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl 2-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2729-0925
4-methyl-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl 2-methoxybenzoate

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

2729-0925

Molecular Formula

C24H18O4S (C24 H18 O4 S)

Compound Name

4-methyl-2-{[(2Z)-3-oxo-2,3-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl 2-methoxybenzoate

IUPAC name

4-methyl-2-{[(2Z)-3-oxo-23-dihydro-1-benzothiophen-2-ylidene]methyl}phenyl 2-methoxybenzoate

SMILES

Cc(cc1)cc(/C=C2\Sc(cccc3)c3C2=O)c1OC(c(cccc1)c1OC)=O

InChI

InChI=1S/C24H18O4S/c1-15-11-12-19(28-24(26)17-7-3-5-9-20(17)27-2)16(13-15)14-22-23(25)18-8-4-6-10-21(18)29-22/h3-14H,1-2H3

InChI Key

ALYYNELROQSOMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01954716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.512

Distribution Coefficient, logD

5.512

Water Solubility, LogSw

-5.57

Polar Surface Area

41.495

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 2729-0925 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2729-0925?
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What is the minimum amount of 2729-0925 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2729-0925
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2729-0925
  • 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 2729-0925 available by request