V004-2270 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

V004-2270 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
V004-2270 Screening compound: 5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-2270
5-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[(4-fluorophenyl)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

V004-2270

Molecular Formula

C33H31FN2O4 (C33 H31 FN2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4ccc(C(NCc(cc5)ccc5F)=O)o4)c2)N3C(C2CC2)=O)cc1

InChI

InChI=1S/C33H31FN2O4/c1-21-2-6-24(7-3-21)31-29-18-27(13-10-23(29)16-17-36(31)33(38)25-8-9-25)39-20-28-14-15-30(40-28)32(37)35-19-22-4-11-26(34)12-5-22/h2-7,10-15,18,25,31H,8-9,16-17,19-20H2,1H3,(H,35,37)/t31-/m0/s1

InChI Key

UOCOVJKJKNTHJU-HKBQPEDESA-N

MDL Number (MFCD)

MFCD19917587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.62

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

6.344

Distribution Coefficient, logD

6.344

Water Solubility, LogSw

-5.48

Polar Surface Area

55.867

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-1.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

V004-2270 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with V004-2270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-2270?
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What is the minimum amount of V004-2270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-2270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-2270
  • 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 V004-2270 available by request