V003-9774 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide

V003-9774 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide
V003-9774 Screening compound: 2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9774
2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(dimethylamino)ethyl]-1,3-oxazole-4-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

V003-9774

Molecular Formula

C29H34N4O4 (C29 H34 N4 O4)

Compound Name

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

IUPAC name

2-({[2-cyclopropanecarbonyl-1-(4-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-N-[2-(dimethylamino)ethyl]-13-oxazole-4-carboxamide

SMILES

Cc1ccc(C(c2c(CC3)ccc(OCc4nc(C(NCCN(C)C)=O)co4)c2)N3C(C2CC2)=O)cc1

InChI

InChI=1S/C29H34N4O4/c1-19-4-6-21(7-5-19)27-24-16-23(11-10-20(24)12-14-33(27)29(35)22-8-9-22)36-18-26-31-25(17-37-26)28(34)30-13-15-32(2)3/h4-7,10-11,16-17,22,27H,8-9,12-15,18H2,1-3H3,(H,30,34)/t27-/m0/s1

InChI Key

INEMCJUGAGQMHU-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19917602

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

502.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.960

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.98

Polar Surface Area

70.410

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

8.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.40

V003-9774 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V003-9774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9774?
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What is the minimum amount of V003-9774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9774
  • 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 V003-9774 available by request