D148-0013 Screening compound: 8-bromo-7,9-dimethyl-3-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

D148-0013 Screening compound: 8-bromo-7,9-dimethyl-3-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
D148-0013 Screening compound: 8-bromo-7,9-dimethyl-3-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D148-0013
8-bromo-7,9-dimethyl-3-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-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

D148-0013

Molecular Formula

C16H11BrN4OS (C16 H11 BrN4 OS)

Compound Name

8-bromo-7,9-dimethyl-3-phenylpyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

IUPAC name

12-bromo-1113-dimethyl-5-phenyl-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-6-one

SMILES

Cc1c(c(N=NN(c2ccccc2)C2=O)c2s2)c2nc(C)c1Br

InChI

InChI=1S/C16H11BrN4OS/c1-8-11-13-14(23-15(11)18-9(2)12(8)17)16(22)21(20-19-13)10-6-4-3-5-7-10/h3-7H,1-2H3

InChI Key

PMZVTFCKGQJWHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812619

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.72

Polar Surface Area

47.559

Acid Dissociation Constant (pKa)

29.19

Base Dissociation Constant (pKb)

1.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with D148-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-0013?
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What is the minimum amount of D148-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-0013
  • 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 D148-0013 available by request