0995-0006 Screening compound: propyl N-(2-{[(4-chlorophenyl)(hydroxy)carbamoyl]oxy}ethyl)carbamate

0995-0006 Screening compound: propyl N-(2-{[(4-chlorophenyl)(hydroxy)carbamoyl]oxy}ethyl)carbamate
0995-0006 Screening compound: propyl N-(2-{[(4-chlorophenyl)(hydroxy)carbamoyl]oxy}ethyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0995-0006
propyl N-(2-{[(4-chlorophenyl)(hydroxy)carbamoyl]oxy}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

0995-0006

Molecular Formula

C13H17ClN2O5 (C13 H17 ClN2 O5)

Compound Name

propyl N-(2-{[(4-chlorophenyl)(hydroxy)carbamoyl]oxy}ethyl)carbamate

IUPAC name

2-[(propoxycarbonyl)amino]ethyl N-(4-chlorophenyl)-N-hydroxycarbamate

SMILES

CCCOC(NCCOC(N(c(cc1)ccc1Cl)O)=O)=O

InChI

InChI=1S/C13H17ClN2O5/c1-2-8-20-12(17)15-7-9-21-13(18)16(19)11-5-3-10(14)4-6-11/h3-6,19H,2,7-9H2,1H3,(H,15,17)

InChI Key

FIIAYSXRMXCSNF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00418094

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.74

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.782

Distribution Coefficient, logD

2.683

Water Solubility, LogSw

-3.28

Polar Surface Area

76.341

Acid Dissociation Constant (pKa)

7.99

Base Dissociation Constant (pKb)

3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

0995-0006 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 0995-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0995-0006?
Check Price and Availability of 0995-0006, 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 0995-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0995-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0995-0006
  • 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 0995-0006 available by request