CM3007-1184 Screening compound: 1-[1-(4-tert-butylbenzenesulfonyl)-4-fluoropyrrolidine-2-carbonyl]-2,3-dihydro-1H-indole

CM3007-1184 Screening compound: 1-[1-(4-tert-butylbenzenesulfonyl)-4-fluoropyrrolidine-2-carbonyl]-2,3-dihydro-1H-indole
CM3007-1184 Screening compound: 1-[1-(4-tert-butylbenzenesulfonyl)-4-fluoropyrrolidine-2-carbonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound CM3007-1184
1-[1-(4-tert-butylbenzenesulfonyl)-4-fluoropyrrolidine-2-carbonyl]-2,3-dihydro-1H-indole

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

CM3007-1184

Molecular Formula

C23H27FN2O3S (C23 H27 FN2 O3 S)

Compound Name

1-[1-(4-tert-butylbenzenesulfonyl)-4-fluoropyrrolidine-2-carbonyl]-2,3-dihydro-1H-indole

IUPAC name

1-[(2S4S)-1-(4-tert-butylbenzenesulfonyl)-4-fluoropyrrolidine-2-carbonyl]-23-dihydro-1H-indole

SMILES

CC(C)(C)c(cc1)ccc1S(N(C[C@H](C1)F)[C@@H]1C(N(CC1)c2c1cccc2)=O)(=O)=O

InChI

InChI=1S/C23H27FN2O3S/c1-23(2,3)17-8-10-19(11-9-17)30(28,29)26-15-18(24)14-21(26)22(27)25-13-12-16-6-4-5-7-20(16)25/h4-11,18,21H,12-15H2,1-3H3/t18-,21+/m1/s1

InChI Key

HZTBFWPAYLQPMZ-NQIIRXRSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.30

Polar Surface Area

48.398

Acid Dissociation Constant (pKa)

18.41

Base Dissociation Constant (pKb)

-2.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

CM3007-1184 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with CM3007-1184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound CM3007-1184?
Check Price and Availability of CM3007-1184, 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 CM3007-1184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for CM3007-1184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for CM3007-1184
  • 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 CM3007-1184 available by request