P114-1129 Screening compound: 1-(3-chloro-4-methylbenzenesulfonyl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine

P114-1129 Screening compound: 1-(3-chloro-4-methylbenzenesulfonyl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine
P114-1129 Screening compound: 1-(3-chloro-4-methylbenzenesulfonyl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-1129
1-(3-chloro-4-methylbenzenesulfonyl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine

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

P114-1129

Molecular Formula

C20H20ClN3O2S (C20 H20 ClN3 O2 S)

Compound Name

1-(3-chloro-4-methylbenzenesulfonyl)-4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridine

IUPAC name

1-(3-chloro-4-methylbenzenesulfonyl)-4-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}-1236-tetrahydropyridine

SMILES

Cc(ccc(S(N(CC1)CC=C1c1cn(C)c2c1cccn2)(=O)=O)c1)c1Cl

InChI

InChI=1S/C20H20ClN3O2S/c1-14-5-6-16(12-19(14)21)27(25,26)24-10-7-15(8-11-24)18-13-23(2)20-17(18)4-3-9-22-20/h3-7,9,12-13H,8,10-11H2,1-2H3

InChI Key

GBTBEMAHISXGMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.92

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.249

Distribution Coefficient, logD

4.248

Water Solubility, LogSw

-4.49

Polar Surface Area

44.144

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

P114-1129 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P114-1129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-1129?
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What is the minimum amount of P114-1129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-1129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-1129
  • 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 P114-1129 available by request