V006-0098 Screening compound: 3-chloro-N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-methoxy-1-benzothiophene-2-carboxamide

V006-0098 Screening compound: 3-chloro-N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-methoxy-1-benzothiophene-2-carboxamide
V006-0098 Screening compound: 3-chloro-N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-methoxy-1-benzothiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-0098
3-chloro-N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-methoxy-1-benzothiophene-2-carboxamide

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

V006-0098

Molecular Formula

C20H24ClNO2S (C20 H24 ClNO2 S)

Compound Name

3-chloro-N-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-5-methoxy-1-benzothiophene-2-carboxamide

IUPAC name

3-chloro-N-[(2E)-37-dimethylocta-26-dien-1-yl]-5-methoxy-1-benzothiophene-2-carboxamide

SMILES

CC(C)=CCC/C(/C)=C/CNC(c(sc(cc1)c2cc1OC)c2Cl)=O

InChI

InChI=1S/C20H24ClNO2S/c1-13(2)6-5-7-14(3)10-11-22-20(23)19-18(21)16-12-15(24-4)8-9-17(16)25-19/h6,8-10,12H,5,7,11H2,1-4H3,(H,22,23)

InChI Key

AMHXXYHKKPBYRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19943430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.703

Distribution Coefficient, logD

6.703

Water Solubility, LogSw

-6.48

Polar Surface Area

33.055

Acid Dissociation Constant (pKa)

10.73

Base Dissociation Constant (pKb)

-1.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

V006-0098 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with V006-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-0098?
Check Price and Availability of V006-0098, 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 V006-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-0098
  • 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 V006-0098 available by request