C712-0066 Screening compound: 9-methyl-N-[2-(morpholin-4-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide

C712-0066 Screening compound: 9-methyl-N-[2-(morpholin-4-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide
C712-0066 Screening compound: 9-methyl-N-[2-(morpholin-4-yl)ethyl]-4H-thieno[3,2-c]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C712-0066
9-methyl-N-[2-(morpholin-4-yl)ethyl]-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

C712-0066

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(OC2)c1-c1c2cc(C(NCCN2CCOCC2)=O)s1

InChI

InChI=1S/C19H22N2O3S/c1-13-3-2-4-15-17(13)18-14(12-24-15)11-16(25-18)19(22)20-5-6-21-7-9-23-10-8-21/h2-4,11H,5-10,12H2,1H3,(H,20,22)

InChI Key

JNLRMUCYVDXMSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.344

Distribution Coefficient, logD

2.316

Water Solubility, LogSw

-2.79

Polar Surface Area

45.501

Acid Dissociation Constant (pKa)

14.14

Base Dissociation Constant (pKb)

6.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

C712-0066 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C712-0066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C712-0066?
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What is the minimum amount of C712-0066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C712-0066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C712-0066
  • 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 C712-0066 available by request