V004-2245 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide

V004-2245 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide
V004-2245 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2245
5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]furan-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

V004-2245

Molecular Formula

C32H37N3O4 (C32 H37 N3 O4)

Compound Name

5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide

IUPAC name

5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(pyrrolidin-1-yl)ethyl]furan-2-carboxamide

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4ccc(C(NCCN5CCCC5)=O)o4)c2)N3C(C2CC2)=O)cc1

InChI

InChI=1S/C32H37N3O4/c1-22-4-6-24(7-5-22)30-28-20-26(11-10-23(28)14-18-35(30)32(37)25-8-9-25)38-21-27-12-13-29(39-27)31(36)33-15-19-34-16-2-3-17-34/h4-7,10-13,20,25,30H,2-3,8-9,14-19,21H2,1H3,(H,33,36)/t30-/m0/s1

InChI Key

IWQINHJRRXXQGJ-PMERELPUSA-N

MDL Number (MFCD)

MFCD19917575

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

527.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.130

Distribution Coefficient, logD

3.410

Water Solubility, LogSw

-4.95

Polar Surface Area

60.057

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

9.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.80

V004-2245 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V004-2245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2245?
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What is the minimum amount of V004-2245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2245
  • 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 V004-2245 available by request