P188-1018 Screening compound: methyl 2-(2-{1-[(3-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamido)benzoate

P188-1018 Screening compound: methyl 2-(2-{1-[(3-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamido)benzoate
P188-1018 Screening compound: methyl 2-(2-{1-[(3-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound P188-1018
methyl 2-(2-{1-[(3-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamido)benzoate

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

P188-1018

Molecular Formula

C25H23N3O4 (C25 H23 N3 O4)

Compound Name

methyl 2-(2-{1-[(3-methylphenyl)methyl]-7-oxo-1H,6H,7H-pyrrolo[2,3-c]pyridin-6-yl}acetamido)benzoate

IUPAC name

methyl 2-(2-{1-[(3-methylphenyl)methyl]-7-oxo-1H6H7H-pyrrolo[23-c]pyridin-6-yl}acetamido)benzoate

SMILES

Cc1cccc(Cn(cc2)c3c2C=CN(CC(Nc(cccc2)c2C(OC)=O)=O)C3=O)c1

InChI

InChI=1S/C25H23N3O4/c1-17-6-5-7-18(14-17)15-27-12-10-19-11-13-28(24(30)23(19)27)16-22(29)26-21-9-4-3-8-20(21)25(31)32-2/h3-14H,15-16H2,1-2H3,(H,26,29)

InChI Key

WLGUOVFRPHQTSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22598634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.367

Distribution Coefficient, logD

3.357

Water Solubility, LogSw

-3.64

Polar Surface Area

61.284

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

P188-1018 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P188-1018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P188-1018?
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What is the minimum amount of P188-1018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P188-1018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P188-1018
  • 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 P188-1018 available by request