C712-0166 Screening compound: N-[(4-methoxyphenyl)methyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0166 Screening compound: N-[(4-methoxyphenyl)methyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0166 Screening compound: N-[(4-methoxyphenyl)methyl]-9-methyl-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0166
N-[(4-methoxyphenyl)methyl]-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

C712-0166

Molecular Formula

C21H19NO3S (C21 H19 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(NCc(cc2)ccc2OC)=O)s1

InChI

InChI=1S/C21H19NO3S/c1-13-4-3-5-17-19(13)20-15(12-25-17)10-18(26-20)21(23)22-11-14-6-8-16(24-2)9-7-14/h3-10H,11-12H2,1-2H3,(H,22,23)

InChI Key

HXMWGQWKJFCMIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.254

Distribution Coefficient, logD

4.254

Water Solubility, LogSw

-4.57

Polar Surface Area

41.312

Acid Dissociation Constant (pKa)

14.36

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C712-0166 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 C712-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0166?
Check Price and Availability of C712-0166, 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 C712-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0166
  • 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 C712-0166 available by request