P168-1030 Screening compound: N-[4-(methylsulfanyl)phenyl]-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

P168-1030 Screening compound: N-[4-(methylsulfanyl)phenyl]-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
P168-1030 Screening compound: N-[4-(methylsulfanyl)phenyl]-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-1030
N-[4-(methylsulfanyl)phenyl]-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

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

P168-1030

Molecular Formula

C18H19N3OS (C18 H19 N3 OS)

Compound Name

N-[4-(methylsulfanyl)phenyl]-1-propyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

IUPAC name

N-[4-(methylsulfanyl)phenyl]-1-propyl-1H-pyrrolo[23-b]pyridine-3-carboxamide

SMILES

CCCn1c(nccc2)c2c(C(Nc(cc2)ccc2SC)=O)c1

InChI

InChI=1S/C18H19N3OS/c1-3-11-21-12-16(15-5-4-10-19-17(15)21)18(22)20-13-6-8-14(23-2)9-7-13/h4-10,12H,3,11H2,1-2H3,(H,20,22)

InChI Key

CBZBWASJGUASON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020716

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.755

Distribution Coefficient, logD

3.755

Water Solubility, LogSw

-3.79

Polar Surface Area

35.218

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

5.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

P168-1030 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 P168-1030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-1030?
Check Price and Availability of P168-1030, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P168-1030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-1030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-1030
  • 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 P168-1030 available by request