V013-2524 Screening compound: 6,7-dimethoxy-1-[(4-methylbenzenesulfonamido)methyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

V013-2524 Screening compound: 6,7-dimethoxy-1-[(4-methylbenzenesulfonamido)methyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide
V013-2524 Screening compound: 6,7-dimethoxy-1-[(4-methylbenzenesulfonamido)methyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-2524
6,7-dimethoxy-1-[(4-methylbenzenesulfonamido)methyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

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

V013-2524

Molecular Formula

C23H31N3O4S2 (C23 H31 N3 O4 S2)

Compound Name

6,7-dimethoxy-1-[(4-methylbenzenesulfonamido)methyl]-N-propyl-1,2,3,4-tetrahydroisoquinoline-2-carbothioamide

IUPAC name

67-dimethoxy-1-[(4-methylbenzenesulfonamido)methyl]-N-propyl-1234-tetrahydroisoquinoline-2-carbothioamide

SMILES

CCCNC(N(CC1)C(CNS(c2ccc(C)cc2)(=O)=O)c(cc2OC)c1cc2OC)=S

InChI

InChI=1S/C23H31N3O4S2/c1-5-11-24-23(31)26-12-10-17-13-21(29-3)22(30-4)14-19(17)20(26)15-25-32(27,28)18-8-6-16(2)7-9-18/h6-9,13-14,20,25H,5,10-12,15H2,1-4H3,(H,24,31)/t20-/m0/s1

InChI Key

WUBDZGXQOKBMKS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD19822277

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.744

Distribution Coefficient, logD

3.744

Water Solubility, LogSw

-3.90

Polar Surface Area

68.789

Acid Dissociation Constant (pKa)

11.65

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.48

References: we are preparing a list of scientific research reports with V013-2524 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-2524?
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What is the minimum amount of V013-2524 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-2524
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-2524
  • 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 V013-2524 available by request