3335-1140 Screening compound: methyl N-[4-({3-[benzyl(methyl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate

3335-1140 Screening compound: methyl N-[4-({3-[benzyl(methyl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate
3335-1140 Screening compound: methyl N-[4-({3-[benzyl(methyl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-1140
methyl N-[4-({3-[benzyl(methyl)carbamoyl]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

3335-1140

Molecular Formula

C22H27N3O5S (C22 H27 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CN(Cc1ccccc1)C(C(CCC1)CN1S(c(cc1)ccc1NC(OC)=O)(=O)=O)=O

InChI

InChI=1S/C22H27N3O5S/c1-24(15-17-7-4-3-5-8-17)21(26)18-9-6-14-25(16-18)31(28,29)20-12-10-19(11-13-20)23-22(27)30-2/h3-5,7-8,10-13,18H,6,9,14-16H2,1-2H3,(H,23,27)/t18-/m0/s1

InChI Key

JRLXOMNQGDEEBN-SFHVURJKSA-N

MDL Number (MFCD)

MFCD02250117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.777

Distribution Coefficient, logD

2.767

Water Solubility, LogSw

-3.45

Polar Surface Area

79.897

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.40

3335-1140 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 3335-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-1140?
Check Price and Availability of 3335-1140, 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 3335-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-1140
  • 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 3335-1140 available by request