P188-0706 Screening compound: 2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(4-ethoxyphenyl)acetamide

P188-0706 Screening compound: 2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(4-ethoxyphenyl)acetamide
P188-0706 Screening compound: 2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(4-ethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P188-0706
2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(4-ethoxyphenyl)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

P188-0706

Molecular Formula

C24H23N3O3 (C24 H23 N3 O3)

Compound Name

2-{1-benzyl-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}-N-(4-ethoxyphenyl)acetamide

IUPAC name

2-{1-benzyl-7-oxo-1H6H7H-pyrrolo[23-c]pyridin-6-yl}-N-(4-ethoxyphenyl)acetamide

SMILES

CCOc(cc1)ccc1NC(CN(C=Cc1c2n(Cc3ccccc3)cc1)C2=O)=O

InChI

InChI=1S/C24H23N3O3/c1-2-30-21-10-8-20(9-11-21)25-22(28)17-27-15-13-19-12-14-26(23(19)24(27)29)16-18-6-4-3-5-7-18/h3-15H,2,16-17H2,1H3,(H,25,28)

InChI Key

APPBZNYSTRJDFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27568813

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.365

Distribution Coefficient, logD

3.365

Water Solubility, LogSw

-3.35

Polar Surface Area

47.931

Acid Dissociation Constant (pKa)

12.59

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

P188-0706 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 P188-0706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P188-0706?
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What is the minimum amount of P188-0706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P188-0706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P188-0706
  • 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 P188-0706 available by request