3335-1134 Screening compound: methyl N-(4-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}phenyl)carbamate

3335-1134 Screening compound: methyl N-(4-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}phenyl)carbamate
3335-1134 Screening compound: methyl N-(4-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}phenyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-1134
methyl N-(4-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]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

3335-1134

Molecular Formula

C20H29N3O5S (C20 H29 N3 O5 S)

Compound Name

methyl N-(4-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}phenyl)carbamate

IUPAC name

methyl N-(4-{[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl}phenyl)carbamate

SMILES

CC(CC1)CCN1C(C(CCC1)CN1S(c(cc1)ccc1NC(OC)=O)(=O)=O)=O

InChI

InChI=1S/C20H29N3O5S/c1-15-9-12-22(13-10-15)19(24)16-4-3-11-23(14-16)29(26,27)18-7-5-17(6-8-18)21-20(25)28-2/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,21,25)/t16-/m0/s1

InChI Key

YWAMWUYVNFBMMN-INIZCTEOSA-N

MDL Number (MFCD)

MFCD02250111

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.251

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-2.91

Polar Surface Area

80.395

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

3335-1134 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 3335-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-1134?
Check Price and Availability of 3335-1134, 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 3335-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-1134
  • 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 3335-1134 available by request