V004-6090 Screening compound: 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

V004-6090 Screening compound: 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide
V004-6090 Screening compound: 4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6090
4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-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

V004-6090

Molecular Formula

C26H26FN5O4 (C26 H26 FN5 O4)

Compound Name

4-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

IUPAC name

4-(3-{[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}pyridin-2-yl)-N-[(3-fluorophenyl)methyl]piperazine-1-carboxamide

SMILES

O=C(c1cccnc1N(CC1)CCN1C(NCc1cccc(F)c1)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C26H26FN5O4/c27-20-4-1-3-18(13-20)16-30-26(34)32-11-9-31(10-12-32)24-21(5-2-8-28-24)25(33)29-15-19-6-7-22-23(14-19)36-17-35-22/h1-8,13-14H,9-12,15-17H2,(H,29,33)(H,30,34)

InChI Key

GBWMYMZSAMXBIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19946488

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

491.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.58

Polar Surface Area

80.800

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.90

V004-6090 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V004-6090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6090?
Check Price and Availability of V004-6090, 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 V004-6090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6090
  • 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 V004-6090 available by request