D038-0641 Screening compound: 2-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetamido]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

D038-0641 Screening compound: 2-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetamido]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
D038-0641 Screening compound: 2-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetamido]-N-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0641
2-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetamido]-N-methyl-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

D038-0641

Molecular Formula

C22H24N2O3S (C22 H24 N2 O3 S)

Compound Name

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

IUPAC name

2-[2-(46-dimethyl-1-benzofuran-3-yl)acetamido]-N-methyl-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

Cc1cc(C)c(c(CC(Nc2c(C(NC)=O)c(CCCC3)c3s2)=O)co2)c2c1

InChI

InChI=1S/C22H24N2O3S/c1-12-8-13(2)19-14(11-27-16(19)9-12)10-18(25)24-22-20(21(26)23-3)15-6-4-5-7-17(15)28-22/h8-9,11H,4-7,10H2,1-3H3,(H,23,26)(H,24,25)

InChI Key

JGZPCBXFMBHKMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646943

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.51

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

4.183

Distribution Coefficient, logD

3.048

Water Solubility, LogSw

-4.58

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

36.40

References: we are preparing a list of scientific research reports with D038-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0641?
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What is the minimum amount of D038-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0641
  • 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 D038-0641 available by request