D148-0033 Screening compound: 8-bromo-7,9-dimethyl-3-(3-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

D148-0033 Screening compound: 8-bromo-7,9-dimethyl-3-(3-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
D148-0033 Screening compound: 8-bromo-7,9-dimethyl-3-(3-methylphenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D148-0033
8-bromo-7,9-dimethyl-3-(3-methylphenyl)pyrido[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

D148-0033

Molecular Formula

C17H13BrN4OS (C17 H13 BrN4 OS)

Compound Name

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

IUPAC name

12-bromo-1113-dimethyl-5-(3-methylphenyl)-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-6-one

SMILES

Cc1cccc(N(C2=O)N=Nc(c3c4C)c2sc3nc(C)c4Br)c1

InChI

InChI=1S/C17H13BrN4OS/c1-8-5-4-6-11(7-8)22-17(23)15-14(20-21-22)12-9(2)13(18)10(3)19-16(12)24-15/h4-7H,1-3H3

InChI Key

JWXJZXBVKUUETD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.29

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

5.234

Distribution Coefficient, logD

5.234

Water Solubility, LogSw

-5.32

Polar Surface Area

47.559

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

1.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with D148-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D148-0033?
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What is the minimum amount of D148-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D148-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D148-0033
  • 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 D148-0033 available by request