P168-1094 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

P168-1094 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
P168-1094 Screening compound: N-{[4-(dimethylamino)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-1094
N-{[4-(dimethylamino)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

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

P168-1094

Molecular Formula

C20H24N4O (C20 H24 N4 O)

Compound Name

N-{[4-(dimethylamino)phenyl]methyl}-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

IUPAC name

N-{[4-(dimethylamino)phenyl]methyl}-1-propyl-1H-pyrrolo[23-b]pyridine-3-carboxamide

SMILES

CCCn1c(nccc2)c2c(C(NCc(cc2)ccc2N(C)C)=O)c1

InChI

InChI=1S/C20H24N4O/c1-4-12-24-14-18(17-6-5-11-21-19(17)24)20(25)22-13-15-7-9-16(10-8-15)23(2)3/h5-11,14H,4,12-13H2,1-3H3,(H,22,25)

InChI Key

REAJDICQVDRFQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.44

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-3.17

Polar Surface Area

39.345

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

P168-1094 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with P168-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-1094?
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What is the minimum amount of P168-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-1094
  • 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 P168-1094 available by request