C102-0149F Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-1,2,4-triazin-5(4H)-one

C102-0149F Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-1,2,4-triazin-5(4H)-one
C102-0149F Screening compound: 3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-1,2,4-triazin-5(4H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C102-0149F
3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-1,2,4-triazin-5(4H)-one

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

C102-0149F

Molecular Formula

C12H12N4O3 (C12 H12 N4 O3)

Compound Name

3-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methyl-1,2,4-triazin-5(4H)-one

IUPAC name

3-[(23-dihydro-14-benzodioxin-6-yl)amino]-6-methyl-45-dihydro-124-triazin-5-one

SMILES

CC1=NN=C(Nc(cc2)cc3c2OCCO3)NC1=O

InChI

InChI=1S/C12H12N4O3/c1-7-11(17)14-12(16-15-7)13-8-2-3-9-10(6-8)19-5-4-18-9/h2-3,6H,4-5H2,1H3,(H2,13,14,16,17)

InChI Key

NPJWQMZTIWJLRQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

260.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.816

Distribution Coefficient, logD

0.813

Water Solubility, LogSw

-2.05

Polar Surface Area

70.120

Acid Dissociation Constant (pKa)

9.66

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C102-0149F in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C102-0149F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C102-0149F?
Check Price and Availability of C102-0149F, 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 C102-0149F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C102-0149F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C102-0149F
  • 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 C102-0149F available by request