T368-3091 Screening compound: 1-methyl-5-[(3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one

T368-3091 Screening compound: 1-methyl-5-[(3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one
T368-3091 Screening compound: 1-methyl-5-[(3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T368-3091
1-methyl-5-[(3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one

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

T368-3091

Molecular Formula

C22H25N5O3S (C22 H25 N5 O3 S)

Compound Name

1-methyl-5-[(3-{2-propyl-3H-imidazo[4,5-b]pyridin-3-yl}pyrrolidin-1-yl)sulfonyl]-2,3-dihydro-1H-indol-2-one

IUPAC name

1-methyl-5-[(3-{2-propyl-3H-imidazo[45-b]pyridin-3-yl}pyrrolidin-1-yl)sulfonyl]-23-dihydro-1H-indol-2-one

SMILES

CCCc1nc2cccnc2n1C(CC1)CN1S(c(cc1)cc(C2)c1N(C)C2=O)(=O)=O

InChI

InChI=1S/C22H25N5O3S/c1-3-5-20-24-18-6-4-10-23-22(18)27(20)16-9-11-26(14-16)31(29,30)17-7-8-19-15(12-17)13-21(28)25(19)2/h4,6-8,10,12,16H,3,5,9,11,13-14H2,1-2H3/t16-/m1/s1

InChI Key

LQXOEZUVIOMFEI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD29023343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.76

Polar Surface Area

69.228

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

T368-3091 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Indole Derivatives (10091 compounds)

PI3K-Targeted Library (17255 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with T368-3091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T368-3091?
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What is the minimum amount of T368-3091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T368-3091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T368-3091
  • 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 T368-3091 available by request