8451-16603 Screening compound: ethyl 4-{2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-amido}benzoate

8451-16603 Screening compound: ethyl 4-{2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-amido}benzoate
8451-16603 Screening compound: ethyl 4-{2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-16603
ethyl 4-{2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-amido}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

8451-16603

Molecular Formula

C16H17N5O4 (C16 H17 N5 O4)

Compound Name

ethyl 4-{2-methyl-5-oxo-4H,5H,6H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-7-amido}benzoate

IUPAC name

ethyl 4-{2-methyl-5-oxo-4H5H6H7H-[124]triazolo[15-a]pyrimidine-7-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C1)n2nc(C)nc2NC1=O)=O)=O

InChI

InChI=1S/C16H17N5O4/c1-3-25-15(24)10-4-6-11(7-5-10)18-14(23)12-8-13(22)19-16-17-9(2)20-21(12)16/h4-7,12H,3,8H2,1-2H3,(H,18,23)(H,17,19,20,22)/t12-/m1/s1

InChI Key

REBGXWPTSSBQOX-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD06782784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.075

Distribution Coefficient, logD

1.068

Water Solubility, LogSw

-2.11

Polar Surface Area

95.040

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

8451-16603 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Antiviral HBV Library (10007 compounds)

Integrin Receptors Targeted library (1715 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Cancer
  • Endocrine
Agro:
  • Agro
Targets:
  • Others
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 8451-16603 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-16603?
Check Price and Availability of 8451-16603, 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 8451-16603 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-16603
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-16603
  • 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 8451-16603 available by request