C102-0208 Screening compound: ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]benzoate

C102-0208 Screening compound: ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]benzoate
C102-0208 Screening compound: ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C102-0208
ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]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

C102-0208

Molecular Formula

C16H20N4O3 (C16 H20 N4 O3)

Compound Name

ethyl 4-[(6-tert-butyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)amino]benzoate

IUPAC name

ethyl 4-[(6-tert-butyl-5-oxo-45-dihydro-124-triazin-3-yl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(N1)=NN=C(C(C)(C)C)C1=O)=O

InChI

InChI=1S/C16H20N4O3/c1-5-23-14(22)10-6-8-11(9-7-10)17-15-18-13(21)12(19-20-15)16(2,3)4/h6-9H,5H2,1-4H3,(H2,17,18,20,21)

InChI Key

BIXBMLJSGFZZQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03492623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.775

Distribution Coefficient, logD

3.770

Water Solubility, LogSw

-3.98

Polar Surface Area

75.877

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

C102-0208 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C102-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C102-0208?
Check Price and Availability of C102-0208, 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 C102-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C102-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C102-0208
  • 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 C102-0208 available by request