3335-1118 Screening compound: methyl N-[4-({4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate

3335-1118 Screening compound: methyl N-[4-({4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate
3335-1118 Screening compound: methyl N-[4-({4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl}sulfonyl)phenyl]carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-1118
methyl N-[4-({4-[(4-fluorophenyl)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

3335-1118

Molecular Formula

C20H22FN3O5S (C20 H22 FN3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

COC(Nc(cc1)ccc1S(N(CC1)CCC1C(Nc(cc1)ccc1F)=O)(=O)=O)=O

InChI

InChI=1S/C20H22FN3O5S/c1-29-20(26)23-17-6-8-18(9-7-17)30(27,28)24-12-10-14(11-13-24)19(25)22-16-4-2-15(21)3-5-16/h2-9,14H,10-13H2,1H3,(H,22,25)(H,23,26)

InChI Key

RKAQPZBDEGUMRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02250095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.485

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-2.87

Polar Surface Area

86.905

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3335-1118 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 3335-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-1118?
Check Price and Availability of 3335-1118, 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 3335-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-1118
  • 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 3335-1118 available by request