V012-3068 Screening compound: N-[4-(dimethylamino)-3-[(N-propyl4-fluorobenzenesulfonamido)methyl]phenyl]-4-fluorobenzene-1-sulfonamide

V012-3068 Screening compound: N-[4-(dimethylamino)-3-[(N-propyl4-fluorobenzenesulfonamido)methyl]phenyl]-4-fluorobenzene-1-sulfonamide
V012-3068 Screening compound: N-[4-(dimethylamino)-3-[(N-propyl4-fluorobenzenesulfonamido)methyl]phenyl]-4-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-3068
N-[4-(dimethylamino)-3-[(N-propyl4-fluorobenzenesulfonamido)methyl]phenyl]-4-fluorobenzene-1-sulfonamide

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

V012-3068

Molecular Formula

C24H27F2N3O4S2 (C24 H27 F2 N3 O4 S2)

Compound Name

N-[4-(dimethylamino)-3-[(N-propyl4-fluorobenzenesulfonamido)methyl]phenyl]-4-fluorobenzene-1-sulfonamide

IUPAC name

N-[4-(dimethylamino)-3-[(N-propyl4-fluorobenzenesulfonamido)methyl]phenyl]-4-fluorobenzene-1-sulfonamide

SMILES

CCCN(Cc(cc(cc1)NS(c(cc2)ccc2F)(=O)=O)c1N(C)C)S(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C24H27F2N3O4S2/c1-4-15-29(35(32,33)23-12-7-20(26)8-13-23)17-18-16-21(9-14-24(18)28(2)3)27-34(30,31)22-10-5-19(25)6-11-22/h5-14,16,27H,4,15,17H2,1-3H3

InChI Key

HOZUBMILYYFGDA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19973497

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

523.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.105

Distribution Coefficient, logD

5.004

Water Solubility, LogSw

-5.04

Polar Surface Area

74.746

Acid Dissociation Constant (pKa)

8.04

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V012-3068 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with V012-3068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-3068?
Check Price and Availability of V012-3068, 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 V012-3068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-3068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-3068
  • 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 V012-3068 available by request