V028-0199 Screening compound: 1-[(4-chlorobenzenesulfonamido)methyl]-6,7-dimethoxy-N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

V028-0199 Screening compound: 1-[(4-chlorobenzenesulfonamido)methyl]-6,7-dimethoxy-N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide
V028-0199 Screening compound: 1-[(4-chlorobenzenesulfonamido)methyl]-6,7-dimethoxy-N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0199
1-[(4-chlorobenzenesulfonamido)methyl]-6,7-dimethoxy-N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2-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

V028-0199

Molecular Formula

C26H28ClN3O6S (C26 H28 ClN3 O6 S)

Compound Name

1-[(4-chlorobenzenesulfonamido)methyl]-6,7-dimethoxy-N-(2-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline-2-carboxamide

IUPAC name

1-[(4-chlorobenzenesulfonamido)methyl]-67-dimethoxy-N-(2-methoxyphenyl)-1234-tetrahydroisoquinoline-2-carboxamide

SMILES

COc(cccc1)c1NC(N(CC1)C(CNS(c(cc2)ccc2Cl)(=O)=O)c(cc2OC)c1cc2OC)=O

InChI

InChI=1S/C26H28ClN3O6S/c1-34-23-7-5-4-6-21(23)29-26(31)30-13-12-17-14-24(35-2)25(36-3)15-20(17)22(30)16-28-37(32,33)19-10-8-18(27)9-11-19/h4-11,14-15,22,28H,12-13,16H2,1-3H3,(H,29,31)/t22-/m0/s1

InChI Key

PBDGHTCUSLZVTD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19823506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.04

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.365

Distribution Coefficient, logD

4.365

Water Solubility, LogSw

-4.53

Polar Surface Area

88.858

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

References: we are preparing a list of scientific research reports with V028-0199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0199?
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What is the minimum amount of V028-0199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0199
  • 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 V028-0199 available by request