8010-2309 Screening compound: ethyl 2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

8010-2309 Screening compound: ethyl 2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
8010-2309 Screening compound: ethyl 2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-2309
ethyl 2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-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

8010-2309

Molecular Formula

C23H27NO3S (C23 H27 NO3 S)

Compound Name

ethyl 2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C=C/c2ccc(C(C)C)cc2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H27NO3S/c1-4-27-23(26)21-18-7-5-6-8-19(18)28-22(21)24-20(25)14-11-16-9-12-17(13-10-16)15(2)3/h9-15H,4-8H2,1-3H3,(H,24,25)

InChI Key

CQGYLSAFNRLRDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00590078

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

4.086

Water Solubility, LogSw

-5.53

Polar Surface Area

43.585

Acid Dissociation Constant (pKa)

5.23

Base Dissociation Constant (pKb)

-1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

8010-2309 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 8010-2309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-2309?
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What is the minimum amount of 8010-2309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-2309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-2309
  • 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 8010-2309 available by request