C154-0117 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C154-0117 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C154-0117 Screening compound: N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C154-0117
N-(4-chloro-2-methoxy-5-methylphenyl)-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

C154-0117

Molecular Formula

C23H21ClN2O3S (C23 H21 ClN2 O3 S)

Compound Name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

N-(4-chloro-2-methoxy-5-methylphenyl)-2-methyl-1-oxo-3-(thiophen-2-yl)-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

Cc(cc(c(OC)c1)NC(C(C(c2cccs2)N2C)c(cccc3)c3C2=O)=O)c1Cl

InChI

InChI=1S/C23H21ClN2O3S/c1-13-11-17(18(29-3)12-16(13)24)25-22(27)20-14-7-4-5-8-15(14)23(28)26(2)21(20)19-9-6-10-30-19/h4-12,20-21H,1-3H3,(H,25,27)

InChI Key

WUSJMQDODLVRHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723198

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.509

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.69

Polar Surface Area

46.731

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

21.70

C154-0117 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 C154-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C154-0117?
Check Price and Availability of C154-0117, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C154-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C154-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C154-0117
  • 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 C154-0117 available by request