P101-1389 Screening compound: 5-[(3-methoxyphenyl)methyl]-1-methyl-N-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridine-2-carboxamide

P101-1389 Screening compound: 5-[(3-methoxyphenyl)methyl]-1-methyl-N-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridine-2-carboxamide
P101-1389 Screening compound: 5-[(3-methoxyphenyl)methyl]-1-methyl-N-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P101-1389
5-[(3-methoxyphenyl)methyl]-1-methyl-N-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridine-2-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

P101-1389

Molecular Formula

C23H32N4O3 (C23 H32 N4 O3)

Compound Name

5-[(3-methoxyphenyl)methyl]-1-methyl-N-[2-(morpholin-4-yl)ethyl]-1H,4H,5H,6H,7H-pyrrolo[3,2-c]pyridine-2-carboxamide

IUPAC name

5-[(3-methoxyphenyl)methyl]-1-methyl-N-[2-(morpholin-4-yl)ethyl]-1H4H5H6H7H-pyrrolo[32-c]pyridine-2-carboxamide

SMILES

Cn1c(C(NCCN2CCOCC2)=O)cc2c1CCN(Cc1cc(OC)ccc1)C2

InChI

InChI=1S/C23H32N4O3/c1-25-21-6-8-27(16-18-4-3-5-20(14-18)29-2)17-19(21)15-22(25)23(28)24-7-9-26-10-12-30-13-11-26/h3-5,14-15H,6-13,16-17H2,1-2H3,(H,24,28)

InChI Key

BBXGWXFQJFLGEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27564781

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.456

Distribution Coefficient, logD

-2.796

Water Solubility, LogSw

-2.15

Polar Surface Area

49.340

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

11.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

P101-1389 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 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 P101-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P101-1389?
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What is the minimum amount of P101-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P101-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P101-1389
  • 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 P101-1389 available by request