C337-0296 Screening compound: 4,5-dimethyl 1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0296 Screening compound: 4,5-dimethyl 1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0296 Screening compound: 4,5-dimethyl 1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0296
4,5-dimethyl 1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4,5-dicarboxylate

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

C337-0296

Molecular Formula

C15H17N3O4 (C15 H17 N3 O4)

Compound Name

4,5-dimethyl 1-[4-(propan-2-yl)phenyl]-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-dimethyl 1-[4-(propan-2-yl)phenyl]-1H-123-triazole-45-dicarboxylate

SMILES

CC(C)c(cc1)ccc1-n1nnc(C(OC)=O)c1C(OC)=O

InChI

InChI=1S/C15H17N3O4/c1-9(2)10-5-7-11(8-6-10)18-13(15(20)22-4)12(16-17-18)14(19)21-3/h5-9H,1-4H3

InChI Key

RLIJUPLLKHZOEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.711

Distribution Coefficient, logD

2.711

Water Solubility, LogSw

-2.96

Polar Surface Area

68.459

Acid Dissociation Constant (pKa)

23.65

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C337-0296 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with C337-0296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0296?
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What is the minimum amount of C337-0296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0296
  • 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 C337-0296 available by request