N042-0045 Screening compound: 1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline

N042-0045 Screening compound: 1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline
N042-0045 Screening compound: 1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound N042-0045
1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline

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

N042-0045

Molecular Formula

C11H12N2 (C11 H12 N2)

Compound Name

1H,2H,3H,9H-pyrrolo[2,1-b]quinazoline

IUPAC name

1H2H3H9H-pyrrolo[21-b]quinazoline

SMILES

C(C1)CN(C2)C1=Nc1c2cccc1

InChI

InChI=1S/C11H12N2/c1-2-5-10-9(4-1)8-13-7-3-6-11(13)12-10/h1-2,4-5H,3,6-8H2

InChI Key

WUFQLZTXIWKION-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01004615

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

172.23

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.450

Distribution Coefficient, logD

-1.493

Water Solubility, LogSw

-1.45

Polar Surface Area

13.612

Acid Dissociation Constant (pKa)

17.36

Base Dissociation Constant (pKb)

10.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

N042-0045 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Fragments Library (11262 compounds)

Launched & Clinically Evaluated Drugs Library (185 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Natural Compounds Library (353 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool
  • Fragments
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with N042-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound N042-0045?
Check Price and Availability of N042-0045, 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 N042-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for N042-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for N042-0045
  • 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 N042-0045 available by request