G421-0785 Screening compound: 1-{6-[(3-chlorophenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-ethylpiperazine

G421-0785 Screening compound: 1-{6-[(3-chlorophenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-ethylpiperazine
G421-0785 Screening compound: 1-{6-[(3-chlorophenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-ethylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G421-0785
1-{6-[(3-chlorophenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-ethylpiperazine

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

G421-0785

Molecular Formula

C20H26ClN5 (C20 H26 ClN5)

Compound Name

1-{6-[(3-chlorophenyl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-ethylpiperazine

IUPAC name

1-{6-[(3-chlorophenyl)methyl]-5H6H7H8H-pyrido[43-d]pyrimidin-2-yl}-4-ethylpiperazine

SMILES

CCN(CC1)CCN1c1nc(CCN(Cc2cccc(Cl)c2)C2)c2cn1

InChI

InChI=1S/C20H26ClN5/c1-2-24-8-10-26(11-9-24)20-22-13-17-15-25(7-6-19(17)23-20)14-16-4-3-5-18(21)12-16/h3-5,12-13H,2,6-11,14-15H2,1H3

InChI Key

NKRURYOXMBHNNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15012411

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

371.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.905

Distribution Coefficient, logD

2.215

Water Solubility, LogSw

-3.20

Polar Surface Area

30.143

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

G421-0785 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with G421-0785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G421-0785?
Check Price and Availability of G421-0785, 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 G421-0785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G421-0785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G421-0785
  • 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 G421-0785 available by request