C096-1463 Screening compound: ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate

C096-1463 Screening compound: ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate
C096-1463 Screening compound: ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-1463
ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate

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

C096-1463

Molecular Formula

C31H32FN3O5 (C31 H32 FN3 O5)

Compound Name

ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate

IUPAC name

ethyl 4-{2-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)-1-oxo-1234-tetrahydroisoquinoline-4-carbonyl}piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(C(C(c(cc1)ccc1OC)N1Cc(cc2)ccc2F)c(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C31H32FN3O5/c1-3-40-31(38)34-18-16-33(17-19-34)30(37)27-25-6-4-5-7-26(25)29(36)35(20-21-8-12-23(32)13-9-21)28(27)22-10-14-24(39-2)15-11-22/h4-15,27-28H,3,16-20H2,1-2H3

InChI Key

XDFCTQUSVFYNIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719690

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.202

Distribution Coefficient, logD

4.202

Water Solubility, LogSw

-4.19

Polar Surface Area

62.623

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.30

C096-1463 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C096-1463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-1463?
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What is the minimum amount of C096-1463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-1463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-1463
  • 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 C096-1463 available by request