V009-7746 Screening compound: N~1~-[3-{3-[(4-ethylpiperazino)carbonyl]benzyl}-1,3-thiazol-2(3H)-yliden]-4-fluoro-1-benzenesulfonamide

V009-7746 Screening compound: N~1~-[3-{3-[(4-ethylpiperazino)carbonyl]benzyl}-1,3-thiazol-2(3H)-yliden]-4-fluoro-1-benzenesulfonamide
V009-7746 Screening compound: N~1~-[3-{3-[(4-ethylpiperazino)carbonyl]benzyl}-1,3-thiazol-2(3H)-yliden]-4-fluoro-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V009-7746
N~1~-[3-{3-[(4-ethylpiperazino)carbonyl]benzyl}-1,3-thiazol-2(3H)-yliden]-4-fluoro-1-benzenesulfonamide

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

V009-7746

Molecular Formula

C23H25FN4O3S2 (C23 H25 FN4 O3 S2)

Compound Name

N~1~-[3-{3-[(4-ethylpiperazino)carbonyl]benzyl}-1,3-thiazol-2(3H)-yliden]-4-fluoro-1-benzenesulfonamide

IUPAC name

N-[(2Z)-3-{[3-(4-ethylpiperazine-1-carbonyl)phenyl]methyl}-23-dihydro-13-thiazol-2-ylidene]-4-fluorobenzene-1-sulfonamide

SMILES

CCN(CC1)CCN1C(c1cccc(CN(C=CS2)/C2=N/S(c(cc2)ccc2F)(=O)=O)c1)=O

InChI

InChI=1S/C23H25FN4O3S2/c1-2-26-10-12-27(13-11-26)22(29)19-5-3-4-18(16-19)17-28-14-15-32-23(28)25-33(30,31)21-8-6-20(24)7-9-21/h3-9,14-16H,2,10-13,17H2,1H3

InChI Key

QLGYWELEIFXPLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19796233

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.105

Distribution Coefficient, logD

1.929

Water Solubility, LogSw

-2.70

Polar Surface Area

63.357

Acid Dissociation Constant (pKa)

28.84

Base Dissociation Constant (pKb)

7.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.43

V009-7746 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V009-7746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V009-7746?
Check Price and Availability of V009-7746, 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 V009-7746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V009-7746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V009-7746
  • 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 V009-7746 available by request