D038-0652 Screening compound: 2-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetamido]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

D038-0652 Screening compound: 2-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetamido]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
D038-0652 Screening compound: 2-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetamido]-N-(3-methoxypropyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0652
2-[2-(4,6-dimethyl-1-benzofuran-3-yl)acetamido]-N-(3-methoxypropyl)-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

D038-0652

Molecular Formula

C25H30N2O4S (C25 H30 N2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H30N2O4S/c1-15-11-16(2)22-17(14-31-19(22)12-15)13-21(28)27-25-23(24(29)26-9-6-10-30-3)18-7-4-5-8-20(18)32-25/h11-12,14H,4-10,13H2,1-3H3,(H,26,29)(H,27,28)

InChI Key

XIVBMZJSEYVGBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06648569

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-4.67

Polar Surface Area

65.260

Acid Dissociation Constant (pKa)

6.30

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

D038-0652 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D038-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0652?
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What is the minimum amount of D038-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0652
  • 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 D038-0652 available by request