3338-0787 Screening compound: N-(3-ethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

3338-0787 Screening compound: N-(3-ethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide
3338-0787 Screening compound: N-(3-ethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-0787
N-(3-ethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

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

3338-0787

Molecular Formula

C24H24N2O4S (C24 H24 N2 O4 S)

Compound Name

N-(3-ethoxyphenyl)-4-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)benzamide

IUPAC name

N-(3-ethoxyphenyl)-4-(1234-tetrahydroisoquinoline-2-sulfonyl)benzamide

SMILES

CCOc1cccc(NC(c(cc2)ccc2S(N(CC2)Cc3c2cccc3)(=O)=O)=O)c1

InChI

InChI=1S/C24H24N2O4S/c1-2-30-22-9-5-8-21(16-22)25-24(27)19-10-12-23(13-11-19)31(28,29)26-15-14-18-6-3-4-7-20(18)17-26/h3-13,16H,2,14-15,17H2,1H3,(H,25,27)

InChI Key

YFZIYFIMHIUOMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02927148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.611

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.24

Polar Surface Area

61.826

Acid Dissociation Constant (pKa)

9.73

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

3338-0787 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3338-0787 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-0787?
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What is the minimum amount of 3338-0787 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-0787
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-0787
  • 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 3338-0787 available by request