G314-0091 Screening compound: methyl 4-(3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamido)benzoate

G314-0091 Screening compound: methyl 4-(3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamido)benzoate
G314-0091 Screening compound: methyl 4-(3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G314-0091
methyl 4-(3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamido)benzoate

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

G314-0091

Molecular Formula

C18H19N5O3 (C18 H19 N5 O3)

Compound Name

methyl 4-(3-{6,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-7-yl}propanamido)benzoate

IUPAC name

methyl 4-(3-{68-dimethyl-[124]triazolo[43-b]pyridazin-7-yl}propanamido)benzoate

SMILES

Cc1c(CCC(Nc(cc2)ccc2C(OC)=O)=O)c(C)nn2c1nnc2

InChI

InChI=1S/C18H19N5O3/c1-11-15(12(2)22-23-10-19-21-17(11)23)8-9-16(24)20-14-6-4-13(5-7-14)18(25)26-3/h4-7,10H,8-9H2,1-3H3,(H,20,24)

InChI Key

KVYODAVKAHJEJA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14997286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

1.694

Water Solubility, LogSw

-2.15

Polar Surface Area

78.495

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G314-0091 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with G314-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G314-0091?
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What is the minimum amount of G314-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G314-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G314-0091
  • 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 G314-0091 available by request