D032-0017 Screening compound: 4-(4-butoxyphenyl)pyrimido[4,5-b]indolizin-10-yl cyanide

D032-0017 Screening compound: 4-(4-butoxyphenyl)pyrimido[4,5-b]indolizin-10-yl cyanide
D032-0017 Screening compound: 4-(4-butoxyphenyl)pyrimido[4,5-b]indolizin-10-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D032-0017
4-(4-butoxyphenyl)pyrimido[4,5-b]indolizin-10-yl cyanide

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

D032-0017

Molecular Formula

C21H18N4O (C21 H18 N4 O)

Compound Name

4-(4-butoxyphenyl)pyrimido[4,5-b]indolizin-10-yl cyanide

IUPAC name

4-(4-butoxyphenyl)pyrimido[45-b]indolizine-10-carbonitrile

SMILES

CCCCOc(cc1)ccc1-c1ncnc2c1n(cccc1)c1c2C#N

InChI

InChI=1S/C21H18N4O/c1-2-3-12-26-16-9-7-15(8-10-16)19-21-20(24-14-23-19)17(13-22)18-6-4-5-11-25(18)21/h4-11,14H,2-3,12H2,1H3

InChI Key

NZXFMHLNGWBFFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09058239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.141

Distribution Coefficient, logD

4.140

Water Solubility, LogSw

-4.25

Polar Surface Area

44.486

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

D032-0017 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D032-0017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D032-0017?
Check Price and Availability of D032-0017, 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 D032-0017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D032-0017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D032-0017
  • 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 D032-0017 available by request