G421-0512 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

G421-0512 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
G421-0512 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound G421-0512
N-(2H-1,3-benzodioxol-5-yl)-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

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

G421-0512

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

IUPAC name

N-(2H-13-benzodioxol-5-yl)-6-{[3-methoxy-4-(propan-2-yloxy)phenyl]methyl}-5H6H7H8H-pyrido[43-d]pyrimidin-2-amine

SMILES

CC(C)Oc(ccc(CN(CC1)Cc2c1nc(Nc(cc1)cc3c1OCO3)nc2)c1)c1OC

InChI

InChI=1S/C25H28N4O4/c1-16(2)33-22-6-4-17(10-23(22)30-3)13-29-9-8-20-18(14-29)12-26-25(28-20)27-19-5-7-21-24(11-19)32-15-31-21/h4-7,10-12,16H,8-9,13-15H2,1-3H3,(H,26,27,28)

InChI Key

VHUPRKDMHYEJIE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15012209

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.873

Distribution Coefficient, logD

3.700

Water Solubility, LogSw

-3.90

Polar Surface Area

65.908

Acid Dissociation Constant (pKa)

17.00

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

G421-0512 in Drug Discovery

Included in Screening Libraries

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 G421-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G421-0512?
Check Price and Availability of G421-0512, 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 G421-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G421-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G421-0512
  • 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 G421-0512 available by request