5989-3691 Screening compound: propan-2-yl N-(2-{[(3,4-dichlorophenyl)carbamoyl]oxy}ethyl)carbamate

5989-3691 Screening compound: propan-2-yl N-(2-{[(3,4-dichlorophenyl)carbamoyl]oxy}ethyl)carbamate
5989-3691 Screening compound: propan-2-yl N-(2-{[(3,4-dichlorophenyl)carbamoyl]oxy}ethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3691
propan-2-yl N-(2-{[(3,4-dichlorophenyl)carbamoyl]oxy}ethyl)carbamate

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

5989-3691

Molecular Formula

C13H16Cl2N2O4 (C13 H16 Cl2 N2 O4)

Compound Name

propan-2-yl N-(2-{[(3,4-dichlorophenyl)carbamoyl]oxy}ethyl)carbamate

IUPAC name

2-{[(propan-2-yloxy)carbonyl]amino}ethyl N-(34-dichlorophenyl)carbamate

SMILES

CC(C)OC(NCCOC(Nc(cc1)cc(Cl)c1Cl)=O)=O

InChI

InChI=1S/C13H16Cl2N2O4/c1-8(2)21-12(18)16-5-6-20-13(19)17-9-3-4-10(14)11(15)7-9/h3-4,7-8H,5-6H2,1-2H3,(H,16,18)(H,17,19)

InChI Key

GTHDMYLVMAGDHP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00411594

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.19

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.370

Distribution Coefficient, logD

4.309

Water Solubility, LogSw

-4.19

Polar Surface Area

64.263

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

2.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

5989-3691 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5989-3691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3691?
Check Price and Availability of 5989-3691, 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 5989-3691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3691
  • 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 5989-3691 available by request