Y500-3519 Screening compound: diethyl 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate

Y500-3519 Screening compound: diethyl 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate
Y500-3519 Screening compound: diethyl 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y500-3519
diethyl 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-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

Y500-3519

Molecular Formula

C16H16Cl2N4O5 (C16 H16 Cl2 N4 O5)

Compound Name

diethyl 1-[2-(3,4-dichloroanilino)-2-oxoethyl]-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-diethyl 1-{[(34-dichlorophenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylate

SMILES

CCOC(c1c(C(OCC)=O)nnn1CC(Nc(cc1)cc(Cl)c1Cl)=O)=O

InChI

InChI=1S/C16H16Cl2N4O5/c1-3-26-15(24)13-14(16(25)27-4-2)22(21-20-13)8-12(23)19-9-5-6-10(17)11(18)7-9/h5-7H,3-4,8H2,1-2H3,(H,19,23)

InChI Key

BZMFAFMOWVNMIX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.23

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.062

Distribution Coefficient, logD

3.056

Water Solubility, LogSw

-3.43

Polar Surface Area

90.631

Acid Dissociation Constant (pKa)

9.24

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

References: we are preparing a list of scientific research reports with Y500-3519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y500-3519?
Check Price and Availability of Y500-3519, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y500-3519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y500-3519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y500-3519
  • 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 Y500-3519 available by request