3730-1038 Screening compound: 2-(4-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methoxyphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}-2-methoxyphenoxy)acetic acid

3730-1038 Screening compound: 2-(4-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methoxyphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}-2-methoxyphenoxy)acetic acid
3730-1038 Screening compound: 2-(4-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methoxyphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}-2-methoxyphenoxy)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3730-1038
2-(4-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methoxyphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}-2-methoxyphenoxy)acetic 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

3730-1038

Molecular Formula

C24H23NO8S (C24 H23 NO8 S)

Compound Name

2-(4-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methoxyphenyl)amino]-3-oxo-2,3-dihydrothiophen-2-ylidene]methyl}-2-methoxyphenoxy)acetic acid

IUPAC name

2-(4-{[(2Z)-4-(ethoxycarbonyl)-5-[(4-methoxyphenyl)amino]-3-oxo-23-dihydrothiophen-2-ylidene]methyl}-2-methoxyphenoxy)acetic acid

SMILES

CCOC(C(C1=O)=C(Nc(cc2)ccc2OC)S/C1=C\c(cc1)cc(OC)c1OCC(O)=O)=O

InChI

InChI=1S/C24H23NO8S/c1-4-32-24(29)21-22(28)19(34-23(21)25-15-6-8-16(30-2)9-7-15)12-14-5-10-17(18(11-14)31-3)33-13-20(26)27/h5-12,25H,4,13H2,1-3H3,(H,26,27)

InChI Key

XEYLXLPCHWVQBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02637429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

-0.257

Water Solubility, LogSw

-4.07

Polar Surface Area

93.261

Acid Dissociation Constant (pKa)

3.16

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

3730-1038 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3730-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3730-1038?
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What is the minimum amount of 3730-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3730-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3730-1038
  • 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 3730-1038 available by request