G395-1678 Screening compound: N-[(oxolan-2-yl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

G395-1678 Screening compound: N-[(oxolan-2-yl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide
G395-1678 Screening compound: N-[(oxolan-2-yl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G395-1678
N-[(oxolan-2-yl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

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

G395-1678

Molecular Formula

C20H29N7O3 (C20 H29 N7 O3)

Compound Name

N-[(oxolan-2-yl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propanamide

IUPAC name

N-[(oxolan-2-yl)methyl]-3-(6-{[3-(2-oxopyrrolidin-1-yl)propyl]amino}-[124]triazolo[43-b]pyridazin-3-yl)propanamide

SMILES

O=C(CCc1nnc(cc2)n1nc2NCCCN(CCC1)C1=O)NCC1OCCC1

InChI

InChI=1S/C20H29N7O3/c28-19(22-14-15-4-2-13-30-15)9-8-18-24-23-17-7-6-16(25-27(17)18)21-10-3-12-26-11-1-5-20(26)29/h6-7,15H,1-5,8-14H2,(H,21,25)(H,22,28)/t15-/m1/s1

InChI Key

HXBKPAQPDQXBPC-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD15008191

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-1.276

Distribution Coefficient, logD

-1.276

Water Solubility, LogSw

-1.49

Polar Surface Area

94.654

Acid Dissociation Constant (pKa)

14.19

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.00

G395-1678 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G395-1678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G395-1678?
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What is the minimum amount of G395-1678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G395-1678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G395-1678
  • 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 G395-1678 available by request