P168-0226 Screening compound: (4-methyl-1,4-diazepan-1-yl)(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

P168-0226 Screening compound: (4-methyl-1,4-diazepan-1-yl)(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
P168-0226 Screening compound: (4-methyl-1,4-diazepan-1-yl)(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound P168-0226
(4-methyl-1,4-diazepan-1-yl)(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

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

P168-0226

Molecular Formula

C15H20N4O (C15 H20 N4 O)

Compound Name

(4-methyl-1,4-diazepan-1-yl)(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methanone

IUPAC name

1-methyl-4-{1-methyl-1H-pyrrolo[23-b]pyridine-3-carbonyl}-14-diazepane

SMILES

Cn1c(nccc2)c2c(C(N2CCN(C)CCC2)=O)c1

InChI

InChI=1S/C15H20N4O/c1-17-7-4-8-19(10-9-17)15(20)13-11-18(2)14-12(13)5-3-6-16-14/h3,5-6,11H,4,7-10H2,1-2H3

InChI Key

WJSQTHYERDGHBR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29020585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

272.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.483

Distribution Coefficient, logD

-0.162

Water Solubility, LogSw

-1.68

Polar Surface Area

33.161

Acid Dissociation Constant (pKa)

27.23

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

P168-0226 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 P168-0226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P168-0226?
Check Price and Availability of P168-0226, 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 P168-0226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P168-0226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P168-0226
  • 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 P168-0226 available by request