G421-1331 Screening compound: 1-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-(2-fluorophenyl)piperazine

G421-1331 Screening compound: 1-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-(2-fluorophenyl)piperazine
G421-1331 Screening compound: 1-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-(2-fluorophenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound G421-1331
1-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-(2-fluorophenyl)piperazine

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

G421-1331

Molecular Formula

C26H28FN5O2 (C26 H28 FN5 O2)

Compound Name

1-{6-[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-yl}-4-(2-fluorophenyl)piperazine

IUPAC name

1-{6-[(23-dihydro-14-benzodioxin-6-yl)methyl]-5H6H7H8H-pyrido[43-d]pyrimidin-2-yl}-4-(2-fluorophenyl)piperazine

SMILES

Fc(cccc1)c1N(CC1)CCN1c1nc(CCN(Cc(cc2)cc3c2OCCO3)C2)c2cn1

InChI

InChI=1S/C26H28FN5O2/c27-21-3-1-2-4-23(21)31-9-11-32(12-10-31)26-28-16-20-18-30(8-7-22(20)29-26)17-19-5-6-24-25(15-19)34-14-13-33-24/h1-6,15-16H,7-14,17-18H2

InChI Key

IVBLOSUQJXWCGD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15012750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.911

Distribution Coefficient, logD

2.738

Water Solubility, LogSw

-3.08

Polar Surface Area

45.389

Acid Dissociation Constant (pKa)

20.66

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

G421-1331 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G421-1331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G421-1331?
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What is the minimum amount of G421-1331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G421-1331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G421-1331
  • 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 G421-1331 available by request