V017-3978 Screening compound: 3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethane-1-sulfonate

V017-3978 Screening compound: 3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethane-1-sulfonate
V017-3978 Screening compound: 3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethane-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-3978
3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethane-1-sulfonate

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

V017-3978

Molecular Formula

C22H28FNO4S (C22 H28 FNO4 S)

Compound Name

3-({N-[(4-fluorophenyl)methyl]-3,3-dimethylbutanamido}methyl)phenyl ethane-1-sulfonate

IUPAC name

3-({N-[(4-fluorophenyl)methyl]-33-dimethylbutanamido}methyl)phenyl ethane-1-sulfonate

SMILES

CCS(Oc1cc(CN(Cc(cc2)ccc2F)C(CC(C)(C)C)=O)ccc1)(=O)=O

InChI

InChI=1S/C22H28FNO4S/c1-5-29(26,27)28-20-8-6-7-18(13-20)16-24(21(25)14-22(2,3)4)15-17-9-11-19(23)12-10-17/h6-13H,5,14-16H2,1-4H3

InChI Key

VZSISFVQYLYCJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14250258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.237

Distribution Coefficient, logD

4.237

Water Solubility, LogSw

-4.36

Polar Surface Area

51.031

Acid Dissociation Constant (pKa)

21.62

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V017-3978 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-3978?
Check Price and Availability of V017-3978, 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 V017-3978 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-3978
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-3978
  • 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 V017-3978 available by request