V001-4559 Screening compound: N~2~-allyl-5-(3-chlorophenyl)-N~2~-cyclohexyl-2-thiophenecarboxamide

V001-4559 Screening compound: N~2~-allyl-5-(3-chlorophenyl)-N~2~-cyclohexyl-2-thiophenecarboxamide
V001-4559 Screening compound: N~2~-allyl-5-(3-chlorophenyl)-N~2~-cyclohexyl-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4559
N~2~-allyl-5-(3-chlorophenyl)-N~2~-cyclohexyl-2-thiophenecarboxamide

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

V001-4559

Molecular Formula

C20H22ClNOS (C20 H22 ClNOS)

Compound Name

N~2~-allyl-5-(3-chlorophenyl)-N~2~-cyclohexyl-2-thiophenecarboxamide

IUPAC name

n/a

SMILES

C=CCN(C1CCCCC1)C(c1ccc(-c2cccc(Cl)c2)s1)=O

InChI

InChI=1S/C20H22ClNOS/c1-2-13-22(17-9-4-3-5-10-17)20(23)19-12-11-18(24-19)15-7-6-8-16(21)14-15/h2,6-8,11-12,14,17H,1,3-5,9-10,13H2

InChI Key

KDMLMUIQCAWHFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.92

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.555

Distribution Coefficient, logD

6.555

Water Solubility, LogSw

-6.51

Polar Surface Area

16.419

Acid Dissociation Constant (pKa)

27.96

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

V001-4559 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with V001-4559 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4559?
Check Price and Availability of V001-4559, 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 V001-4559 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4559
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4559
  • 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 V001-4559 available by request