V003-9492 Screening compound: 5-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide

V003-9492 Screening compound: 5-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide
V003-9492 Screening compound: 5-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9492
5-({[1-(4-methylphenyl)-2-propanoyl-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-methylphenyl)methyl]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

V003-9492

Molecular Formula

C33H34N2O4 (C33 H34 N2 O4)

Compound Name

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

IUPAC name

5-({[1-(4-methylphenyl)-2-propanoyl-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(3-methylphenyl)methyl]furan-2-carboxamide

SMILES

CCC(N(CC1)C(c2ccc(C)cc2)c2c1ccc(OCc1ccc(C(NCc3cc(C)ccc3)=O)o1)c2)=O

InChI

InChI=1S/C33H34N2O4/c1-4-31(36)35-17-16-25-12-13-27(19-29(25)32(35)26-10-8-22(2)9-11-26)38-21-28-14-15-30(39-28)33(37)34-20-24-7-5-6-23(3)18-24/h5-15,18-19,32H,4,16-17,20-21H2,1-3H3,(H,34,37)/t32-/m0/s1

InChI Key

LHSNPZJFQCPFQJ-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD19917946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.826

Distribution Coefficient, logD

6.826

Water Solubility, LogSw

-5.60

Polar Surface Area

55.088

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V003-9492 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 V003-9492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9492?
Check Price and Availability of V003-9492, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V003-9492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9492
  • 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 V003-9492 available by request