P114-1082 Screening compound: 4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

P114-1082 Screening compound: 4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole
P114-1082 Screening compound: 4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-1082
4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

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

P114-1082

Molecular Formula

C19H17N5O2S2 (C19 H17 N5 O2 S2)

Compound Name

4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]-2,1,3-benzothiadiazole

IUPAC name

4-[(4-{1-methyl-1H-pyrrolo[23-b]pyridin-3-yl}-1236-tetrahydropyridin-1-yl)sulfonyl]-213-benzothiadiazole

SMILES

Cn1c(nccc2)c2c(C(CC2)=CCN2S(c2cccc3nsnc23)(=O)=O)c1

InChI

InChI=1S/C19H17N5O2S2/c1-23-12-15(14-4-3-9-20-19(14)23)13-7-10-24(11-8-13)28(25,26)17-6-2-5-16-18(17)22-27-21-16/h2-7,9,12H,8,10-11H2,1H3

InChI Key

PQCLRISZXHHPAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.012

Distribution Coefficient, logD

3.012

Water Solubility, LogSw

-3.26

Polar Surface Area

65.097

Acid Dissociation Constant (pKa)

27.45

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

P114-1082 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Epitranscriptome Focused Small Molecule Library (20952 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
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P114-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-1082?
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What is the minimum amount of P114-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-1082
  • 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 P114-1082 available by request