D369-0062 Screening compound: propyl 4-[8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

D369-0062 Screening compound: propyl 4-[8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate
D369-0062 Screening compound: propyl 4-[8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D369-0062
propyl 4-[8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]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

D369-0062

Molecular Formula

C20H17BrN4O3S (C20 H17 BrN4 O3 S)

Compound Name

propyl 4-[8-bromo-7,9-dimethyl-4-oxopyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3(4H)-yl]benzoate

IUPAC name

propyl 4-{12-bromo-1113-dimethyl-6-oxo-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(13)2(7)3911-pentaen-5-yl}benzoate

SMILES

CCCOC(c(cc1)ccc1N(C1=O)N=Nc(c2c3C)c1sc2nc(C)c3Br)=O

InChI

InChI=1S/C20H17BrN4O3S/c1-4-9-28-20(27)12-5-7-13(8-6-12)25-19(26)17-16(23-24-25)14-10(2)15(21)11(3)22-18(14)29-17/h5-8H,4,9H2,1-3H3

InChI Key

ORXPZGQQNBMIPA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14825545

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.844

Distribution Coefficient, logD

5.844

Water Solubility, LogSw

-5.82

Polar Surface Area

68.607

Acid Dissociation Constant (pKa)

27.80

Base Dissociation Constant (pKb)

0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D369-0062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D369-0062?
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What is the minimum amount of D369-0062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D369-0062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D369-0062
  • 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 D369-0062 available by request