C301-0587 Screening compound: 2-(4-chlorophenyl)-5-[(4-methylcyclohexyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

C301-0587 Screening compound: 2-(4-chlorophenyl)-5-[(4-methylcyclohexyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate
C301-0587 Screening compound: 2-(4-chlorophenyl)-5-[(4-methylcyclohexyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0587
2-(4-chlorophenyl)-5-[(4-methylcyclohexyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

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

C301-0587

Molecular Formula

C15H18ClN5O3 (C15 H18 ClN5 O3)

Compound Name

2-(4-chlorophenyl)-5-[(4-methylcyclohexyl)amino]-4-nitro-2H-1,2,3-triazol-1-ium-1-olate

IUPAC name

2-(4-chlorophenyl)-5-[(4-methylcyclohexyl)amino]-4-nitro-2H-123-triazol-1-ium-1-olate

SMILES

CC(CC1)CCC1Nc(c([N+]([O-])=O)nn1-c(cc2)ccc2Cl)[n+]1[O-]

InChI

InChI=1S/C15H18ClN5O3/c1-10-2-6-12(7-3-10)17-14-15(21(23)24)18-19(20(14)22)13-8-4-11(16)5-9-13/h4-5,8-10,12,17H,2-3,6-7H2,1H3

InChI Key

LMAZXDOALQRLPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741874

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.79

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.472

Distribution Coefficient, logD

4.472

Water Solubility, LogSw

-4.58

Polar Surface Area

77.131

Acid Dissociation Constant (pKa)

15.75

Base Dissociation Constant (pKb)

-2.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.70

C301-0587 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C301-0587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0587?
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What is the minimum amount of C301-0587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0587
  • 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 C301-0587 available by request