0831-0999 Screening compound: methyl N-[4-(piperidine-1-sulfonyl)phenyl]carbamate

0831-0999 Screening compound: methyl N-[4-(piperidine-1-sulfonyl)phenyl]carbamate
0831-0999 Screening compound: methyl N-[4-(piperidine-1-sulfonyl)phenyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-0999
methyl N-[4-(piperidine-1-sulfonyl)phenyl]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

0831-0999

Molecular Formula

C13H18N2O4S (C13 H18 N2 O4 S)

Compound Name

methyl N-[4-(piperidine-1-sulfonyl)phenyl]carbamate

IUPAC name

methyl N-[4-(piperidine-1-sulfonyl)phenyl]carbamate

SMILES

COC(Nc(cc1)ccc1S(N1CCCCC1)(=O)=O)=O

InChI

InChI=1S/C13H18N2O4S/c1-19-13(16)14-11-5-7-12(8-6-11)20(17,18)15-9-3-2-4-10-15/h5-8H,2-4,9-10H2,1H3,(H,14,16)

InChI Key

GOXBBDKIKHGXCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00415664

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.997

Distribution Coefficient, logD

1.986

Water Solubility, LogSw

-2.72

Polar Surface Area

63.813

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

0831-0999 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Pool

References: we are preparing a list of scientific research reports with 0831-0999 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-0999?
Check Price and Availability of 0831-0999, 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 0831-0999 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-0999
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-0999
  • 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 0831-0999 available by request