V023-9987 Screening compound: 1-{4-[2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one

V023-9987 Screening compound: 1-{4-[2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one
V023-9987 Screening compound: 1-{4-[2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V023-9987
1-{4-[2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one

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

V023-9987

Molecular Formula

C31H34N4O5 (C31 H34 N4 O5)

Compound Name

1-{4-[2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1,2,3,4-tetrahydroisoquinolin-7-yl]oxy}methyl)-1,3-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one

IUPAC name

1-{4-[2-({[2-cyclopropanecarbonyl-1-(3-methylphenyl)-1234-tetrahydroisoquinolin-7-yl]oxy}methyl)-13-oxazole-4-carbonyl]piperazin-1-yl}ethan-1-one

SMILES

CC(N(CC1)CCN1C(c1coc(COc2cc(C(c3cc(C)ccc3)N(CC3)C(C4CC4)=O)c3cc2)n1)=O)=O

InChI

InChI=1S/C31H34N4O5/c1-20-4-3-5-24(16-20)29-26-17-25(9-8-22(26)10-11-35(29)30(37)23-6-7-23)39-19-28-32-27(18-40-28)31(38)34-14-12-33(13-15-34)21(2)36/h3-5,8-9,16-18,23,29H,6-7,10-15,19H2,1-2H3/t29-/m0/s1

InChI Key

JRHBCAQRGUYRNP-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD19918082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

542.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.898

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-3.96

Polar Surface Area

75.862

Acid Dissociation Constant (pKa)

22.07

Base Dissociation Constant (pKb)

-1.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.90

V023-9987 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V023-9987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V023-9987?
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What is the minimum amount of V023-9987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V023-9987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V023-9987
  • 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 V023-9987 available by request