C200-2240 Screening compound: 4,5-diethyl 1-{[benzyl(4-bromophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C200-2240 Screening compound: 4,5-diethyl 1-{[benzyl(4-bromophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C200-2240 Screening compound: 4,5-diethyl 1-{[benzyl(4-bromophenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-2240
4,5-diethyl 1-{[benzyl(4-bromophenyl)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

C200-2240

Molecular Formula

C23H23BrN4O5 (C23 H23 BrN4 O5)

Compound Name

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

IUPAC name

45-diethyl 1-{[benzyl(4-bromophenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylate

SMILES

CCOC(c1c(C(OCC)=O)nnn1CC(N(Cc1ccccc1)c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C23H23BrN4O5/c1-3-32-22(30)20-21(23(31)33-4-2)28(26-25-20)15-19(29)27(14-16-8-6-5-7-9-16)18-12-10-17(24)11-13-18/h5-13H,3-4,14-15H2,1-2H3

InChI Key

QPLCFWSYYIEEOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

3.801

Water Solubility, LogSw

-3.83

Polar Surface Area

82.577

Acid Dissociation Constant (pKa)

17.59

Base Dissociation Constant (pKb)

-3.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with C200-2240 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-2240?
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What is the minimum amount of C200-2240 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-2240
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-2240
  • 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 C200-2240 available by request