5989-3649 Screening compound: propyl N-(1-{[(2,5-dimethylphenyl)carbamoyl]oxy}butan-2-yl)carbamate

5989-3649 Screening compound: propyl N-(1-{[(2,5-dimethylphenyl)carbamoyl]oxy}butan-2-yl)carbamate
5989-3649 Screening compound: propyl N-(1-{[(2,5-dimethylphenyl)carbamoyl]oxy}butan-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5989-3649
propyl N-(1-{[(2,5-dimethylphenyl)carbamoyl]oxy}butan-2-yl)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

5989-3649

Molecular Formula

C17H26N2O4 (C17 H26 N2 O4)

Compound Name

propyl N-(1-{[(2,5-dimethylphenyl)carbamoyl]oxy}butan-2-yl)carbamate

IUPAC name

2-[(propoxycarbonyl)amino]butyl N-(25-dimethylphenyl)carbamate

SMILES

CCCOC(NC(CC)COC(Nc1c(C)ccc(C)c1)=O)=O

InChI

InChI=1S/C17H26N2O4/c1-5-9-22-16(20)18-14(6-2)11-23-17(21)19-15-10-12(3)7-8-13(15)4/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,18,20)(H,19,21)/t14-/m0/s1

InChI Key

JMVOIDZSLXBYCT-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD00401112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

4.241

Water Solubility, LogSw

-4.11

Polar Surface Area

64.329

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

5989-3649 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5989-3649 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5989-3649?
Check Price and Availability of 5989-3649, 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 5989-3649 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5989-3649
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5989-3649
  • 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 5989-3649 available by request