0318-0180 Screening compound: methyl N-[2,2-dichloro-1-({2,2-dichloro-1-[(methoxycarbonyl)amino]ethyl}peroxy)ethyl]carbamate

0318-0180 Screening compound: methyl N-[2,2-dichloro-1-({2,2-dichloro-1-[(methoxycarbonyl)amino]ethyl}peroxy)ethyl]carbamate
0318-0180 Screening compound: methyl N-[2,2-dichloro-1-({2,2-dichloro-1-[(methoxycarbonyl)amino]ethyl}peroxy)ethyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0318-0180
methyl N-[2,2-dichloro-1-({2,2-dichloro-1-[(methoxycarbonyl)amino]ethyl}peroxy)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

0318-0180

Molecular Formula

C8H12Cl4N2O6 (C8 H12 Cl4 N2 O6)

Compound Name

methyl N-[2,2-dichloro-1-({2,2-dichloro-1-[(methoxycarbonyl)amino]ethyl}peroxy)ethyl]carbamate

IUPAC name

methyl N-[22-dichloro-1-({22-dichloro-1-[(methoxycarbonyl)amino]ethyl}peroxy)ethyl]carbamate

SMILES

COC(NC(C(Cl)Cl)OOC(C(Cl)Cl)NC(OC)=O)=O

InChI

InChI=1S/C8H12Cl4N2O6/c1-17-7(15)13-5(3(9)10)19-20-6(4(11)12)14-8(16)18-2/h3-6H,1-2H3,(H,13,15)(H,14,16)

InChI Key

HTUAAWMFMILWMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.357

Distribution Coefficient, logD

1.355

Water Solubility, LogSw

-1.45

Polar Surface Area

83.358

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-5.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with 0318-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0318-0180?
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What is the minimum amount of 0318-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0318-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0318-0180
  • 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 0318-0180 available by request