G291-0075 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(morpholin-4-yl)pyrimidine-5-carbonitrile

G291-0075 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(morpholin-4-yl)pyrimidine-5-carbonitrile
G291-0075 Screening compound: 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(morpholin-4-yl)pyrimidine-5-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound G291-0075
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(morpholin-4-yl)pyrimidine-5-carbonitrile

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

G291-0075

Molecular Formula

C21H24N6O3 (C21 H24 N6 O3)

Compound Name

4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(morpholin-4-yl)pyrimidine-5-carbonitrile

IUPAC name

4-{4-[(2H-13-benzodioxol-5-yl)methyl]piperazin-1-yl}-6-(morpholin-4-yl)pyrimidine-5-carbonitrile

SMILES

N#Cc1c(N2CCN(Cc(cc3)cc4c3OCO4)CC2)ncnc1N1CCOCC1

InChI

InChI=1S/C21H24N6O3/c22-12-17-20(23-14-24-21(17)27-7-9-28-10-8-27)26-5-3-25(4-6-26)13-16-1-2-18-19(11-16)30-15-29-18/h1-2,11,14H,3-10,13,15H2

InChI Key

JQDJCTPUJFBGTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.429

Distribution Coefficient, logD

2.055

Water Solubility, LogSw

-2.58

Polar Surface Area

72.440

Acid Dissociation Constant (pKa)

22.82

Base Dissociation Constant (pKb)

7.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.62

G291-0075 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G291-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G291-0075?
Check Price and Availability of G291-0075, 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 G291-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G291-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G291-0075
  • 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 G291-0075 available by request