D048-0025 Screening compound: N-(2-methylphenyl)-2-(naphthalene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

D048-0025 Screening compound: N-(2-methylphenyl)-2-(naphthalene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
D048-0025 Screening compound: N-(2-methylphenyl)-2-(naphthalene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0025
N-(2-methylphenyl)-2-(naphthalene-2-sulfonyl)-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

D048-0025

Molecular Formula

C27H24N2O3S (C27 H24 N2 O3 S)

Compound Name

N-(2-methylphenyl)-2-(naphthalene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-(2-methylphenyl)-2-(naphthalene-2-sulfonyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

Cc(cccc1)c1NC(C(Cc1c(C2)cccc1)N2S(c1cc2ccccc2cc1)(=O)=O)=O

InChI

InChI=1S/C27H24N2O3S/c1-19-8-2-7-13-25(19)28-27(30)26-17-22-11-5-6-12-23(22)18-29(26)33(31,32)24-15-14-20-9-3-4-10-21(20)16-24/h2-16,26H,17-18H2,1H3,(H,28,30)/t26-/m0/s1

InChI Key

JXYQABPTQVDSNP-SANMLTNESA-N

MDL Number (MFCD)

MFCD03653377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.541

Distribution Coefficient, logD

5.540

Water Solubility, LogSw

-6.32

Polar Surface Area

54.204

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

References: we are preparing a list of scientific research reports with D048-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0025?
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What is the minimum amount of D048-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0025
  • 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 D048-0025 available by request