3338-0529 Screening compound: 2-[4-(propan-2-yloxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

3338-0529 Screening compound: 2-[4-(propan-2-yloxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
3338-0529 Screening compound: 2-[4-(propan-2-yloxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-0529
2-[4-(propan-2-yloxy)benzamido]-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

3338-0529

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

2-[4-(propan-2-yloxy)benzamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

IUPAC name

2-[4-(propan-2-yloxy)benzamido]-4567-tetrahydro-1-benzothiophene-3-carboxamide

SMILES

CC(C)Oc(cc1)ccc1C(Nc1c(C(N)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C19H22N2O3S/c1-11(2)24-13-9-7-12(8-10-13)18(23)21-19-16(17(20)22)14-5-3-4-6-15(14)25-19/h7-11H,3-6H2,1-2H3,(H2,20,22)(H,21,23)

InChI Key

MQAUKKKYKAOLLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.661

Distribution Coefficient, logD

1.378

Water Solubility, LogSw

-3.20

Polar Surface Area

63.906

Acid Dissociation Constant (pKa)

6.14

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

3338-0529 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular

References: we are preparing a list of scientific research reports with 3338-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-0529?
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What is the minimum amount of 3338-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-0529
  • 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 3338-0529 available by request