4644-0543 Screening compound: 4-chloro-6-{[3-(ethoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

4644-0543 Screening compound: 4-chloro-6-{[3-(ethoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
4644-0543 Screening compound: 4-chloro-6-{[3-(ethoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4644-0543
4-chloro-6-{[3-(ethoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic 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

4644-0543

Molecular Formula

C20H24ClNO6S (C20 H24 ClNO6 S)

Compound Name

4-chloro-6-{[3-(ethoxycarbonyl)-5,5-dimethyl-4H,5H,7H-thieno[2,3-c]pyran-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

IUPAC name

4-chloro-6-{[3-(ethoxycarbonyl)-55-dimethyl-4H5H7H-thieno[23-c]pyran-2-yl]carbamoyl}cyclohex-3-ene-1-carboxylic acid

SMILES

CCOC(c1c(NC(C(CC(Cl)=CC2)C2C(O)=O)=O)sc2c1CC(C)(C)OC2)=O

InChI

InChI=1S/C20H24ClNO6S/c1-4-27-19(26)15-13-8-20(2,3)28-9-14(13)29-17(15)22-16(23)12-7-10(21)5-6-11(12)18(24)25/h5,11-12H,4,6-9H2,1-3H3,(H,22,23)(H,24,25)

InChI Key

HIQUIXTUNZZPLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02637329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.472

Distribution Coefficient, logD

0.073

Water Solubility, LogSw

-3.85

Polar Surface Area

80.096

Acid Dissociation Constant (pKa)

4.00

Base Dissociation Constant (pKb)

-5.09

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.00

4644-0543 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

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

Human Transcription Factors Annotated Library (5098 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4644-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4644-0543?
Check Price and Availability of 4644-0543, 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 4644-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4644-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4644-0543
  • 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 4644-0543 available by request