P114-1070 Screening compound: N-{4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}acetamide

P114-1070 Screening compound: N-{4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}acetamide
P114-1070 Screening compound: N-{4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P114-1070
N-{4-[(4-{1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl}-1,2,3,6-tetrahydropyridin-1-yl)sulfonyl]phenyl}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

P114-1070

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1S(N(CC1)CC=C1c1cn(C)c2c1cccn2)(=O)=O)=O

InChI

InChI=1S/C21H22N4O3S/c1-15(26)23-17-5-7-18(8-6-17)29(27,28)25-12-9-16(10-13-25)20-14-24(2)21-19(20)4-3-11-22-21/h3-9,11,14H,10,12-13H2,1-2H3,(H,23,26)

InChI Key

GDXLZSRKTBJSSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.294

Distribution Coefficient, logD

2.293

Water Solubility, LogSw

-2.90

Polar Surface Area

67.406

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

P114-1070 in Drug Discovery

Included in Screening Libraries

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
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P114-1070 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P114-1070?
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What is the minimum amount of P114-1070 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P114-1070
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P114-1070
  • 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 P114-1070 available by request