4065-0433 Screening compound: N-(3-hydroxyphenyl)-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

4065-0433 Screening compound: N-(3-hydroxyphenyl)-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
4065-0433 Screening compound: N-(3-hydroxyphenyl)-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4065-0433
N-(3-hydroxyphenyl)-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-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

4065-0433

Molecular Formula

C23H22N2O4S (C23 H22 N2 O4 S)

Compound Name

N-(3-hydroxyphenyl)-2-(4-methylbenzenesulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-(3-hydroxyphenyl)-2-(4-methylbenzenesulfonyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

Cc(cc1)ccc1S(N(Cc1c(C2)cccc1)C2C(Nc1cc(O)ccc1)=O)(=O)=O

InChI

InChI=1S/C23H22N2O4S/c1-16-9-11-21(12-10-16)30(28,29)25-15-18-6-3-2-5-17(18)13-22(25)23(27)24-19-7-4-8-20(26)14-19/h2-12,14,22,26H,13,15H2,1H3,(H,24,27)/t22-/m0/s1

InChI Key

QDCCQKRPFNHKPA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD02707113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.136

Distribution Coefficient, logD

4.129

Water Solubility, LogSw

-3.98

Polar Surface Area

72.790

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

4065-0433 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4065-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4065-0433?
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What is the minimum amount of 4065-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4065-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4065-0433
  • 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 4065-0433 available by request