C322-0009 Screening compound: methyl 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

C322-0009 Screening compound: methyl 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate
C322-0009 Screening compound: methyl 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C322-0009
methyl 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

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

C322-0009

Molecular Formula

C22H25NO5S (C22 H25 NO5 S)

Compound Name

methyl 2-[(2E)-3-(3,4-dimethoxyphenyl)prop-2-enamido]-4H,5H,6H,7H,8H-cyclohepta[b]thiophene-3-carboxylate

IUPAC name

methyl 2-[(2E)-3-(34-dimethoxyphenyl)prop-2-enamido]-4H5H6H7H8H-cyclohepta[b]thiophene-3-carboxylate

SMILES

COC(c1c(NC(/C=C/c(cc2)cc(OC)c2OC)=O)sc2c1CCCCC2)=O

InChI

InChI=1S/C22H25NO5S/c1-26-16-11-9-14(13-17(16)27-2)10-12-19(24)23-21-20(22(25)28-3)15-7-5-4-6-8-18(15)29-21/h9-13H,4-8H2,1-3H3,(H,23,24)

InChI Key

NDDBHCIMTBCSLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01353003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.744

Distribution Coefficient, logD

2.567

Water Solubility, LogSw

-4.70

Polar Surface Area

59.597

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

C322-0009 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with C322-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C322-0009?
Check Price and Availability of C322-0009, 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 C322-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C322-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C322-0009
  • 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 C322-0009 available by request