C712-0328 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0328 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0328 Screening compound: N-[2-(4-ethoxyphenyl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0328
N-[2-(4-ethoxyphenyl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

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

C712-0328

Molecular Formula

C23H23NO3S (C23 H23 NO3 S)

Compound Name

N-[2-(4-ethoxyphenyl)ethyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

IUPAC name

N-[2-(4-ethoxyphenyl)ethyl]-9-methyl-4H-thieno[32-c]chromene-2-carboxamide

SMILES

CCOc1ccc(CCNC(c2cc(COc3c-4c(C)ccc3)c4s2)=O)cc1

InChI

InChI=1S/C23H23NO3S/c1-3-26-18-9-7-16(8-10-18)11-12-24-23(25)20-13-17-14-27-19-6-4-5-15(2)21(19)22(17)28-20/h4-10,13H,3,11-12,14H2,1-2H3,(H,24,25)

InChI Key

YAAJRHSVGSMTRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787161

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.574

Distribution Coefficient, logD

4.574

Water Solubility, LogSw

-4.51

Polar Surface Area

40.734

Acid Dissociation Constant (pKa)

14.73

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C712-0328 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

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 C712-0328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0328?
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What is the minimum amount of C712-0328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0328
  • 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 C712-0328 available by request