4925-0641 Screening compound: 7,9-dimethyl-3-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one

4925-0641 Screening compound: 7,9-dimethyl-3-(4-nitrophenyl)pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-4(3H)-one
4925-0641 Screening compound: 7,9-dimethyl-3-(4-nitrophenyl)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 4925-0641
7,9-dimethyl-3-(4-nitrophenyl)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

4925-0641

Molecular Formula

C16H11N5O3S (C16 H11 N5 O3 S)

Compound Name

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

IUPAC name

1113-dimethyl-5-(4-nitrophenyl)-8-thia-34510-tetraazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

Cc1c(c(N=NN(c(cc2)ccc2[N+]([O-])=O)C2=O)c2s2)c2nc(C)c1

InChI

InChI=1S/C16H11N5O3S/c1-8-7-9(2)17-15-12(8)13-14(25-15)16(22)20(19-18-13)10-3-5-11(6-4-10)21(23)24/h3-7H,1-2H3

InChI Key

LRVGOPCJPGHUDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.36

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.901

Distribution Coefficient, logD

3.901

Water Solubility, LogSw

-4.12

Polar Surface Area

80.170

Acid Dissociation Constant (pKa)

29.19

Base Dissociation Constant (pKb)

2.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 4925-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4925-0641?
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What is the minimum amount of 4925-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4925-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4925-0641
  • 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 4925-0641 available by request