C337-0111 Screening compound: 4,5-diethyl 1-{[(2-nitrophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0111 Screening compound: 4,5-diethyl 1-{[(2-nitrophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0111 Screening compound: 4,5-diethyl 1-{[(2-nitrophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0111
4,5-diethyl 1-{[(2-nitrophenyl)carbamoyl]methyl}-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

C337-0111

Molecular Formula

C16H17N5O7 (C16 H17 N5 O7)

Compound Name

4,5-diethyl 1-{[(2-nitrophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-diethyl 1-{[(2-nitrophenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylate

SMILES

CCOC(c1c(C(OCC)=O)nnn1CC(Nc(cccc1)c1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C16H17N5O7/c1-3-27-15(23)13-14(16(24)28-4-2)20(19-18-13)9-12(22)17-10-7-5-6-8-11(10)21(25)26/h5-8H,3-4,9H2,1-2H3,(H,17,22)

InChI Key

ZJSFEFMEQLTKLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749678

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.34

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.334

Distribution Coefficient, logD

1.324

Water Solubility, LogSw

-2.35

Polar Surface Area

123.014

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-4.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

References: we are preparing a list of scientific research reports with C337-0111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0111?
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What is the minimum amount of C337-0111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0111
  • 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 C337-0111 available by request