M976-0121 Screening compound: 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxo-N~3~-[2-(trifluoromethoxy)phenyl]-3-pyrrolidinecarboxamide

M976-0121 Screening compound: 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxo-N~3~-[2-(trifluoromethoxy)phenyl]-3-pyrrolidinecarboxamide
M976-0121 Screening compound: 1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxo-N~3~-[2-(trifluoromethoxy)phenyl]-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M976-0121
1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxo-N~3~-[2-(trifluoromethoxy)phenyl]-3-pyrrolidinecarboxamide

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

M976-0121

Molecular Formula

C22H20F3N3O4 (C22 H20 F3 N3 O4)

Compound Name

1-(1-acetyl-2,3-dihydro-1H-indol-5-yl)-5-oxo-N~3~-[2-(trifluoromethoxy)phenyl]-3-pyrrolidinecarboxamide

IUPAC name

1-(1-acetyl-23-dihydro-1H-indol-5-yl)-5-oxo-N-[2-(trifluoromethoxy)phenyl]pyrrolidine-3-carboxamide

SMILES

CC(N(CC1)c(cc2)c1cc2N(CC(C1)C(Nc(cccc2)c2OC(F)(F)F)=O)C1=O)=O

InChI

InChI=1S/C22H20F3N3O4/c1-13(29)27-9-8-14-10-16(6-7-18(14)27)28-12-15(11-20(28)30)21(31)26-17-4-2-3-5-19(17)32-22(23,24)25/h2-7,10,15H,8-9,11-12H2,1H3,(H,26,31)/t15-/m0/s1

InChI Key

HEGRMONHBZRRAL-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27558252

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.544

Water Solubility, LogSw

-3.38

Polar Surface Area

61.823

Acid Dissociation Constant (pKa)

7.36

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

M976-0121 in Drug Discovery

Included in Screening Libraries

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 M976-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M976-0121?
Check Price and Availability of M976-0121, 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 M976-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M976-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M976-0121
  • 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 M976-0121 available by request