G883-0421 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-{[1-(4-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}acetamide

G883-0421 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-{[1-(4-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}acetamide
G883-0421 Screening compound: 2-{[(4-fluorophenyl)methyl]sulfanyl}-N-{[1-(4-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G883-0421
2-{[(4-fluorophenyl)methyl]sulfanyl}-N-{[1-(4-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}acetamide

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

G883-0421

Molecular Formula

C26H25FN2O2S (C26 H25 FN2 O2 S)

Compound Name

2-{[(4-fluorophenyl)methyl]sulfanyl}-N-{[1-(4-methylbenzoyl)-2,3-dihydro-1H-indol-5-yl]methyl}acetamide

IUPAC name

2-{[(4-fluorophenyl)methyl]sulfanyl}-N-{[1-(4-methylbenzoyl)-23-dihydro-1H-indol-5-yl]methyl}acetamide

SMILES

Cc(cc1)ccc1C(N(CC1)c2c1cc(CNC(CSCc(cc1)ccc1F)=O)cc2)=O

InChI

InChI=1S/C26H25FN2O2S/c1-18-2-7-21(8-3-18)26(31)29-13-12-22-14-20(6-11-24(22)29)15-28-25(30)17-32-16-19-4-9-23(27)10-5-19/h2-11,14H,12-13,15-17H2,1H3,(H,28,30)

InChI Key

XWFOVHARQHOBDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27165373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.746

Distribution Coefficient, logD

4.746

Water Solubility, LogSw

-4.42

Polar Surface Area

40.117

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

G883-0421 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 G883-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G883-0421?
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What is the minimum amount of G883-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G883-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G883-0421
  • 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 G883-0421 available by request