C138-0472 Screening compound: N-(2,3-dimethylcyclohexyl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C138-0472 Screening compound: N-(2,3-dimethylcyclohexyl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C138-0472 Screening compound: N-(2,3-dimethylcyclohexyl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0472
N-(2,3-dimethylcyclohexyl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-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

C138-0472

Molecular Formula

C25H32N2O4S (C25 H32 N2 O4 S)

Compound Name

N-(2,3-dimethylcyclohexyl)-6,7-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(23-dimethylcyclohexyl)-67-dimethoxy-2-methyl-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CC(CCC1)C(C)C1NC(C(C(c1cccs1)N1C)c(cc(c(OC)c2)OC)c2C1=O)=O

InChI

InChI=1S/C25H32N2O4S/c1-14-8-6-9-18(15(14)2)26-24(28)22-16-12-19(30-4)20(31-5)13-17(16)25(29)27(3)23(22)21-10-7-11-32-21/h7,10-15,18,22-23H,6,8-9H2,1-5H3,(H,26,28)

InChI Key

DPMGSSHDBHJHGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14721987

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.073

Distribution Coefficient, logD

3.073

Water Solubility, LogSw

-3.51

Polar Surface Area

56.496

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

2.45

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

52.00

C138-0472 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C138-0472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0472?
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What is the minimum amount of C138-0472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0472
  • 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 C138-0472 available by request