V010-9504 Screening compound: 1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethan-1-one

V010-9504 Screening compound: 1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethan-1-one
V010-9504 Screening compound: 1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-9504
1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-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

V010-9504

Molecular Formula

C28H25ClN2O3 (C28 H25 ClN2 O3)

Compound Name

1-[1-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinolin-2-yl]-2-[2-(3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethan-1-one

IUPAC name

1-[1-(4-chlorophenyl)-1234-tetrahydroisoquinolin-2-yl]-2-[2-(3-methoxyphenyl)-5-methyl-13-oxazol-4-yl]ethan-1-one

SMILES

Cc1c(CC(N(CC2)C(c(cc3)ccc3Cl)c3c2cccc3)=O)nc(-c2cc(OC)ccc2)o1

InChI

InChI=1S/C28H25ClN2O3/c1-18-25(30-28(34-18)21-7-5-8-23(16-21)33-2)17-26(32)31-15-14-19-6-3-4-9-24(19)27(31)20-10-12-22(29)13-11-20/h3-13,16,27H,14-15,17H2,1-2H3/t27-/m0/s1

InChI Key

IELMBNYGJHTRDQ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD19958201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.274

Distribution Coefficient, logD

6.274

Water Solubility, LogSw

-6.26

Polar Surface Area

41.000

Acid Dissociation Constant (pKa)

20.31

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V010-9504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-9504?
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What is the minimum amount of V010-9504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-9504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-9504
  • 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 V010-9504 available by request