1682-5585 Screening compound: butyl N-(3-acetylphenyl)carbamate

1682-5585 Screening compound: butyl N-(3-acetylphenyl)carbamate
1682-5585 Screening compound: butyl N-(3-acetylphenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-5585
butyl N-(3-acetylphenyl)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

1682-5585

Molecular Formula

C13H17NO3 (C13 H17 NO3)

Compound Name

butyl N-(3-acetylphenyl)carbamate

IUPAC name

butyl N-(3-acetylphenyl)carbamate

SMILES

CCCCOC(Nc1cc(C(C)=O)ccc1)=O

InChI

InChI=1S/C13H17NO3/c1-3-4-8-17-13(16)14-12-7-5-6-11(9-12)10(2)15/h5-7,9H,3-4,8H2,1-2H3,(H,14,16)

InChI Key

PXQOJTKHDSSYQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00703787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

235.28

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.349

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.34

Polar Surface Area

45.803

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

-0.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

1682-5585 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-5585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-5585?
Check Price and Availability of 1682-5585, 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 1682-5585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-5585
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-5585
  • 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 1682-5585 available by request