K978-1536 Screening compound: ethyl 2-[3-(4-methoxybenzenesulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

K978-1536 Screening compound: ethyl 2-[3-(4-methoxybenzenesulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
K978-1536 Screening compound: ethyl 2-[3-(4-methoxybenzenesulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K978-1536
ethyl 2-[3-(4-methoxybenzenesulfonyl)propanamido]-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

K978-1536

Molecular Formula

C21H25NO6S2 (C21 H25 NO6 S2)

Compound Name

ethyl 2-[3-(4-methoxybenzenesulfonyl)propanamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[3-(4-methoxybenzenesulfonyl)propanamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(CCS(c(cc2)ccc2OC)(=O)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H25NO6S2/c1-3-28-21(24)19-16-6-4-5-7-17(16)29-20(19)22-18(23)12-13-30(25,26)15-10-8-14(27-2)9-11-15/h8-11H,3-7,12-13H2,1-2H3,(H,22,23)

InChI Key

XWKFHWYGVZUIII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04063771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.334

Distribution Coefficient, logD

0.258

Water Solubility, LogSw

-3.78

Polar Surface Area

80.165

Acid Dissociation Constant (pKa)

4.32

Base Dissociation Constant (pKb)

-5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with K978-1536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K978-1536?
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What is the minimum amount of K978-1536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K978-1536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K978-1536
  • 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 K978-1536 available by request