P188-1310 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{1-[(2-fluorophenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide

P188-1310 Screening compound: N-(3-chloro-4-fluorophenyl)-2-{1-[(2-fluorophenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamide
P188-1310 Screening compound: N-(3-chloro-4-fluorophenyl)-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 P188-1310
N-(3-chloro-4-fluorophenyl)-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

P188-1310

Molecular Formula

C22H16ClF2N3O2 (C22 H16 ClF2 N3 O2)

Compound Name

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

IUPAC name

N-(3-chloro-4-fluorophenyl)-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)cc(Cl)c1F

InChI

InChI=1S/C22H16ClF2N3O2/c23-17-11-16(5-6-19(17)25)26-20(29)13-28-10-8-14-7-9-27(21(14)22(28)30)12-15-3-1-2-4-18(15)24/h1-11H,12-13H2,(H,26,29)

InChI Key

MZNGEVSORLEOAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22598667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.84

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

4.031

Distribution Coefficient, logD

4.025

Water Solubility, LogSw

-4.46

Polar Surface Area

40.807

Acid Dissociation Constant (pKa)

9.23

Base Dissociation Constant (pKb)

-1.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

P188-1310 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 P188-1310 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P188-1310?
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What is the minimum amount of P188-1310 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P188-1310
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P188-1310
  • 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 P188-1310 available by request