V001-4625 Screening compound: 4-({N-[(4-fluorophenyl)methyl]quinoline-8-sulfonamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

V001-4625 Screening compound: 4-({N-[(4-fluorophenyl)methyl]quinoline-8-sulfonamido}methyl)phenyl 4-fluorobenzene-1-sulfonate
V001-4625 Screening compound: 4-({N-[(4-fluorophenyl)methyl]quinoline-8-sulfonamido}methyl)phenyl 4-fluorobenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4625
4-({N-[(4-fluorophenyl)methyl]quinoline-8-sulfonamido}methyl)phenyl 4-fluorobenzene-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

V001-4625

Molecular Formula

C29H22F2N2O5S2 (C29 H22 F2 N2 O5 S2)

Compound Name

4-({N-[(4-fluorophenyl)methyl]quinoline-8-sulfonamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

IUPAC name

4-({N-[(4-fluorophenyl)methyl]quinoline-8-sulfonamido}methyl)phenyl 4-fluorobenzene-1-sulfonate

SMILES

O=S(c1cccc2cccnc12)(N(Cc(cc1)ccc1OS(c(cc1)ccc1F)(=O)=O)Cc(cc1)ccc1F)=O

InChI

InChI=1S/C29H22F2N2O5S2/c30-24-10-6-21(7-11-24)19-33(39(34,35)28-5-1-3-23-4-2-18-32-29(23)28)20-22-8-14-26(15-9-22)38-40(36,37)27-16-12-25(31)13-17-27/h1-18H,19-20H2

InChI Key

FEWIKWJBXWFQMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19753058

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

580.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.313

Distribution Coefficient, logD

5.313

Water Solubility, LogSw

-6.09

Polar Surface Area

76.637

Acid Dissociation Constant (pKa)

24.73

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.90

V001-4625 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 V001-4625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4625?
Check Price and Availability of V001-4625, 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 V001-4625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4625
  • 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 V001-4625 available by request