2332-1656 Screening compound: 5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid

2332-1656 Screening compound: 5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid
2332-1656 Screening compound: 5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2332-1656
5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid

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

2332-1656

Molecular Formula

C17H19FN6O5S (C17 H19 FN6 O5 S)

Compound Name

5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-5,5-dimethyl-1,2,4-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid

IUPAC name

5-{4-amino-2-[(2-fluorophenyl)methyl]-3-imino-55-dimethyl-124-triazolidin-1-yl}-2-nitrobenzene-1-sulfonic acid

SMILES

CC(C)(N1N)N(c(cc2)cc(S(O)(=O)=O)c2[N+]([O-])=O)N(Cc(cccc2)c2F)C1=N

InChI

InChI=1S/C17H19FN6O5S/c1-17(2)22(20)16(19)21(10-11-5-3-4-6-13(11)18)23(17)12-7-8-14(24(25)26)15(9-12)30(27,28)29/h3-9,19H,10,20H2,1-2H3,(H,27,28,29)

InChI Key

VLAHHXGIQXJDEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01033467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.049

Distribution Coefficient, logD

0.049

Water Solubility, LogSw

-2.45

Polar Surface Area

117.555

Acid Dissociation Constant (pKa)

-6.30

Base Dissociation Constant (pKb)

9.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

2332-1656 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Carbonic Anhydrase II Library (4939 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2332-1656 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2332-1656?
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What is the minimum amount of 2332-1656 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2332-1656
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2332-1656
  • 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 2332-1656 available by request