P188-1329 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{1-[(2-fluorophenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide

P188-1329 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{1-[(2-fluorophenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide
P188-1329 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-{1-[(2-fluorophenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P188-1329
N-(2H-1,3-benzodioxol-5-yl)-2-{1-[(2-fluorophenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}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

P188-1329

Molecular Formula

C23H18FN3O4 (C23 H18 FN3 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-{1-[(2-fluorophenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-{1-[(2-fluorophenyl)methyl]-7-oxo-1H6H7H-pyrrolo[23-c]pyridin-6-yl}acetamide

SMILES

O=C(CN(C=Cc1c2n(Cc(cccc3)c3F)cc1)C2=O)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C23H18FN3O4/c24-18-4-2-1-3-16(18)12-26-9-7-15-8-10-27(23(29)22(15)26)13-21(28)25-17-5-6-19-20(11-17)31-14-30-19/h1-11H,12-14H2,(H,25,28)

InChI Key

CHCVCWOPUIGQCR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22598673

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.134

Distribution Coefficient, logD

3.134

Water Solubility, LogSw

-3.15

Polar Surface Area

57.923

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

P188-1329 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P188-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P188-1329?
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What is the minimum amount of P188-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P188-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P188-1329
  • 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 P188-1329 available by request