V014-4289 Screening compound: 4-[(N-benzyl4-acetamidobenzenesulfonamido)methyl]phenyl methanesulfonate

V014-4289 Screening compound: 4-[(N-benzyl4-acetamidobenzenesulfonamido)methyl]phenyl methanesulfonate
V014-4289 Screening compound: 4-[(N-benzyl4-acetamidobenzenesulfonamido)methyl]phenyl methanesulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-4289
4-[(N-benzyl4-acetamidobenzenesulfonamido)methyl]phenyl methanesulfonate

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

V014-4289

Molecular Formula

C23H24N2O6S2 (C23 H24 N2 O6 S2)

Compound Name

4-[(N-benzyl4-acetamidobenzenesulfonamido)methyl]phenyl methanesulfonate

IUPAC name

4-[(N-benzyl4-acetamidobenzenesulfonamido)methyl]phenyl methanesulfonate

SMILES

CC(Nc(cc1)ccc1S(N(Cc1ccccc1)Cc(cc1)ccc1OS(C)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C23H24N2O6S2/c1-18(26)24-21-10-14-23(15-11-21)33(29,30)25(16-19-6-4-3-5-7-19)17-20-8-12-22(13-9-20)31-32(2,27)28/h3-15H,16-17H2,1-2H3,(H,24,26)

InChI Key

SHLZNXABBSZKIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19993318

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.59

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.094

Distribution Coefficient, logD

3.094

Water Solubility, LogSw

-3.51

Polar Surface Area

90.753

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-1.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

V014-4289 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V014-4289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-4289?
Check Price and Availability of V014-4289, 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 V014-4289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-4289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-4289
  • 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 V014-4289 available by request