P188-0783 Screening compound: 2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(3-bromophenyl)acetamide

P188-0783 Screening compound: 2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(3-bromophenyl)acetamide
P188-0783 Screening compound: 2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(3-bromophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P188-0783
2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(3-bromophenyl)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

P188-0783

Molecular Formula

C22H18BrN3O2 (C22 H18 BrN3 O2)

Compound Name

2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(3-bromophenyl)acetamide

IUPAC name

2-{1-benzyl-7-oxo-1H6H7H-pyrrolo[23-c]pyridin-6-yl}-N-(3-bromophenyl)acetamide

SMILES

O=C(CN(C=Cc1c2n(Cc3ccccc3)cc1)C2=O)Nc1cccc(Br)c1

InChI

InChI=1S/C22H18BrN3O2/c23-18-7-4-8-19(13-18)24-20(27)15-26-12-10-17-9-11-25(21(17)22(26)28)14-16-5-2-1-3-6-16/h1-13H,14-15H2,(H,24,27)

InChI Key

WVMVSOYYXLBBRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22598631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.804

Distribution Coefficient, logD

3.804

Water Solubility, LogSw

-4.04

Polar Surface Area

40.807

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

P188-0783 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P188-0783 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P188-0783?
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What is the minimum amount of P188-0783 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P188-0783
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P188-0783
  • 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 P188-0783 available by request