V002-3921 Screening compound: N~1~-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-fluoro-N~1~-(2-piperidinoethyl)benzamide

V002-3921 Screening compound: N~1~-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-fluoro-N~1~-(2-piperidinoethyl)benzamide
V002-3921 Screening compound: N~1~-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-fluoro-N~1~-(2-piperidinoethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-3921
N~1~-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-fluoro-N~1~-(2-piperidinoethyl)benzamide

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

V002-3921

Molecular Formula

C25H26Cl2FN3O2S (C25 H26 Cl2 FN3 O2 S)

Compound Name

N~1~-({2-[(2,5-dichlorophenoxy)methyl]-1,3-thiazol-4-yl}methyl)-2-fluoro-N~1~-(2-piperidinoethyl)benzamide

IUPAC name

N-({2-[(25-dichlorophenoxy)methyl]-13-thiazol-4-yl}methyl)-2-fluoro-N-[2-(piperidin-1-yl)ethyl]benzamide

SMILES

O=C(c(cccc1)c1F)N(CCN1CCCCC1)Cc1csc(COc(cc(cc2)Cl)c2Cl)n1

InChI

InChI=1S/C25H26Cl2FN3O2S/c26-18-8-9-21(27)23(14-18)33-16-24-29-19(17-34-24)15-31(13-12-30-10-4-1-5-11-30)25(32)20-6-2-3-7-22(20)28/h2-3,6-9,14,17H,1,4-5,10-13,15-16H2

InChI Key

ODVHDMUXGONCED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868051

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

522.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.906

Distribution Coefficient, logD

5.219

Water Solubility, LogSw

-5.98

Polar Surface Area

38.449

Acid Dissociation Constant (pKa)

28.05

Base Dissociation Constant (pKb)

7.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

V002-3921 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V002-3921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-3921?
Check Price and Availability of V002-3921, 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 V002-3921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-3921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-3921
  • 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 V002-3921 available by request