1361-0048 Screening compound: isopropyl {[(3,4-dichlorophenyl)amino]carbonyl}oxy(propyl)carbamate

1361-0048 Screening compound: isopropyl {[(3,4-dichlorophenyl)amino]carbonyl}oxy(propyl)carbamate
1361-0048 Screening compound: isopropyl {[(3,4-dichlorophenyl)amino]carbonyl}oxy(propyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1361-0048
isopropyl {[(3,4-dichlorophenyl)amino]carbonyl}oxy(propyl)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

1361-0048

Molecular Formula

C14H18Cl2N2O4 (C14 H18 Cl2 N2 O4)

Compound Name

isopropyl {[(3,4-dichlorophenyl)amino]carbonyl}oxy(propyl)carbamate

IUPAC name

propan-2-yl N-{[(34-dichlorophenyl)carbamoyl]oxy}-N-propylcarbamate

SMILES

CCCN(C(OC(C)C)=O)OC(Nc(cc1)cc(Cl)c1Cl)=O

InChI

InChI=1S/C14H18Cl2N2O4/c1-4-7-18(14(20)21-9(2)3)22-13(19)17-10-5-6-11(15)12(16)8-10/h5-6,8-9H,4,7H2,1-3H3,(H,17,19)

InChI Key

DIXOAPTVROUTHS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00409691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.468

Distribution Coefficient, logD

2.300

Water Solubility, LogSw

-4.39

Polar Surface Area

57.165

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

1361-0048 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1361-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1361-0048?
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What is the minimum amount of 1361-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1361-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1361-0048
  • 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 1361-0048 available by request