D038-1193 Screening compound: N-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

D038-1193 Screening compound: N-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
D038-1193 Screening compound: N-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-1193
N-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

D038-1193

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

N-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

N-methyl-2-[2-(6-methyl-1-benzofuran-3-yl)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc(cc1)cc2c1c(CC(Nc1c(C(NC)=O)c(CCCC3)c3s1)=O)co2

InChI

InChI=1S/C21H22N2O3S/c1-12-7-8-14-13(11-26-16(14)9-12)10-18(24)23-21-19(20(25)22-2)15-5-3-4-6-17(15)27-21/h7-9,11H,3-6,10H2,1-2H3,(H,22,25)(H,23,24)

InChI Key

JURLLEXZOZBBSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06647547

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-4.34

Polar Surface Area

57.226

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

D038-1193 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D038-1193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-1193?
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What is the minimum amount of D038-1193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-1193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-1193
  • 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 D038-1193 available by request