V008-9399 Screening compound: 3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzene-1-sulfonamide

V008-9399 Screening compound: 3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzene-1-sulfonamide
V008-9399 Screening compound: 3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9399
3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzene-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

V008-9399

Molecular Formula

C28H28FN3O4S2 (C28 H28 FN3 O4 S2)

Compound Name

3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzene-1-sulfonamide

IUPAC name

3-[4-(1-benzothiophene-2-carbonyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]-4-methoxybenzene-1-sulfonamide

SMILES

COc(ccc(S(NCCc(cc1)ccc1F)(=O)=O)c1)c1N(CC1)CCN1C(c1cc(cccc2)c2s1)=O

InChI

InChI=1S/C28H28FN3O4S2/c1-36-25-11-10-23(38(34,35)30-13-12-20-6-8-22(29)9-7-20)19-24(25)31-14-16-32(17-15-31)28(33)27-18-21-4-2-3-5-26(21)37-27/h2-11,18-19,30H,12-17H2,1H3

InChI Key

DHSXGXKJQWYLEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19950740

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

553.68

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.535

Distribution Coefficient, logD

5.535

Water Solubility, LogSw

-6.20

Polar Surface Area

69.823

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

V008-9399 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V008-9399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9399?
Check Price and Availability of V008-9399, 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 V008-9399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9399
  • 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 V008-9399 available by request