5989-3623 Screening compound: 2-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]formamido}ethyl N-(2,5-dimethylphenyl)carbamate

5989-3623 Screening compound: 2-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]formamido}ethyl N-(2,5-dimethylphenyl)carbamate
5989-3623 Screening compound: 2-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]formamido}ethyl N-(2,5-dimethylphenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3623
2-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]formamido}ethyl N-(2,5-dimethylphenyl)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

5989-3623

Molecular Formula

C19H24Cl2N2O3 (C19 H24 Cl2 N2 O3)

Compound Name

2-{[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropyl]formamido}ethyl N-(2,5-dimethylphenyl)carbamate

IUPAC name

2-{[3-(22-dichloroethenyl)-22-dimethylcyclopropyl]formamido}ethyl N-(25-dimethylphenyl)carbamate

SMILES

CC(C)(C1C=C(Cl)Cl)C1C(NCCOC(Nc1c(C)ccc(C)c1)=O)=O

InChI

InChI=1S/C19H24Cl2N2O3/c1-11-5-6-12(2)14(9-11)23-18(25)26-8-7-22-17(24)16-13(10-15(20)21)19(16,3)4/h5-6,9-10,13,16H,7-8H2,1-4H3,(H,22,24)(H,23,25)

InChI Key

CNAINYWIMFQXLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00371366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.516

Distribution Coefficient, logD

4.516

Water Solubility, LogSw

-4.42

Polar Surface Area

56.057

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

47.40

5989-3623 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5989-3623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3623?
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What is the minimum amount of 5989-3623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3623
  • 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 5989-3623 available by request