C713-0323 Screening compound: 4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-N-(2-nitrophenyl)piperazine-1-carboxamide

C713-0323 Screening compound: 4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-N-(2-nitrophenyl)piperazine-1-carboxamide
C713-0323 Screening compound: 4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-N-(2-nitrophenyl)piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C713-0323
4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-N-(2-nitrophenyl)piperazine-1-carboxamide

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

C713-0323

Molecular Formula

C17H18N8O3 (C17 H18 N8 O3)

Compound Name

4-{3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl}-N-(2-nitrophenyl)piperazine-1-carboxamide

IUPAC name

4-{3-methyl-[124]triazolo[43-b]pyridazin-6-yl}-N-(2-nitrophenyl)piperazine-1-carboxamide

SMILES

Cc1nnc(cc2)n1nc2N(CC1)CCN1C(Nc(cccc1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C17H18N8O3/c1-12-19-20-15-6-7-16(21-24(12)15)22-8-10-23(11-9-22)17(26)18-13-4-2-3-5-14(13)25(27)28/h2-7H,8-11H2,1H3,(H,18,26)

InChI Key

APAJQYDKACFCOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14787478

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.627

Distribution Coefficient, logD

1.627

Water Solubility, LogSw

-2.11

Polar Surface Area

94.021

Acid Dissociation Constant (pKa)

10.17

Base Dissociation Constant (pKb)

2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C713-0323 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 C713-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C713-0323?
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What is the minimum amount of C713-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C713-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C713-0323
  • 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 C713-0323 available by request