D718-1608 Screening compound: butyl 4-(2-{5-oxo-4H,5H,6H-imidazo[1,2-b][1,2,4]triazol-6-yl}acetamido)benzoate

D718-1608 Screening compound: butyl 4-(2-{5-oxo-4H,5H,6H-imidazo[1,2-b][1,2,4]triazol-6-yl}acetamido)benzoate
D718-1608 Screening compound: butyl 4-(2-{5-oxo-4H,5H,6H-imidazo[1,2-b][1,2,4]triazol-6-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-1608
butyl 4-(2-{5-oxo-4H,5H,6H-imidazo[1,2-b][1,2,4]triazol-6-yl}acetamido)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

D718-1608

Molecular Formula

C17H19N5O4 (C17 H19 N5 O4)

Compound Name

butyl 4-(2-{5-oxo-4H,5H,6H-imidazo[1,2-b][1,2,4]triazol-6-yl}acetamido)benzoate

IUPAC name

butyl 4-(2-{5-oxo-4H5H6H-imidazo[12-b][124]triazol-6-yl}acetamido)benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(CC1n2ncnc2NC1=O)=O)=O

InChI

InChI=1S/C17H19N5O4/c1-2-3-8-26-16(25)11-4-6-12(7-5-11)20-14(23)9-13-15(24)21-17-18-10-19-22(13)17/h4-7,10,13H,2-3,8-9H2,1H3,(H,20,23)(H,18,19,21,24)/t13-/m0/s1

InChI Key

USMRWQXJIFLTNA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD12207709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.015

Distribution Coefficient, logD

2.012

Water Solubility, LogSw

-2.57

Polar Surface Area

96.647

Acid Dissociation Constant (pKa)

9.61

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

D718-1608 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D718-1608 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-1608?
Check Price and Availability of D718-1608, 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 D718-1608 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-1608
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-1608
  • 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 D718-1608 available by request