C275-0028 Screening compound: 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C275-0028 Screening compound: 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
C275-0028 Screening compound: 3-(1H-indol-3-yl)-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C275-0028
3-(1H-indol-3-yl)-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-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

C275-0028

Molecular Formula

C26H20F3N3O2 (C26 H20 F3 N3 O2)

Compound Name

3-(1H-indol-3-yl)-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

IUPAC name

3-(1H-indol-3-yl)-2-methyl-1-oxo-N-[4-(trifluoromethyl)phenyl]-1234-tetrahydroisoquinoline-4-carboxamide

SMILES

CN(C(C(C(Nc1ccc(C(F)(F)F)cc1)=O)c1c2cccc1)c1c[nH]c3c1cccc3)C2=O

InChI

InChI=1S/C26H20F3N3O2/c1-32-23(20-14-30-21-9-5-4-6-17(20)21)22(18-7-2-3-8-19(18)25(32)34)24(33)31-16-12-10-15(11-13-16)26(27,28)29/h2-14,22-23,30H,1H3,(H,31,33)

InChI Key

VDXVMQDCICGLDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.698

Distribution Coefficient, logD

4.698

Water Solubility, LogSw

-4.65

Polar Surface Area

48.650

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

15.40

C275-0028 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C275-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C275-0028?
Check Price and Availability of C275-0028, 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 C275-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C275-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C275-0028
  • 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 C275-0028 available by request