V015-9159 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylphenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

V015-9159 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylphenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide
V015-9159 Screening compound: 2-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylphenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-9159
2-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylphenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-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

V015-9159

Molecular Formula

C27H26N4O4 (C27 H26 N4 O4)

Compound Name

2-({[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylphenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(2H-13-benzodioxol-5-yl)methyl][(3-methylphenyl)methyl]amino}methyl)-N-[(pyridin-3-yl)methyl]-13-oxazole-4-carboxamide

SMILES

Cc1cccc(CN(Cc2nc(C(NCc3cnccc3)=O)co2)Cc(cc2)cc3c2OCO3)c1

InChI

InChI=1S/C27H26N4O4/c1-19-4-2-5-20(10-19)14-31(15-21-7-8-24-25(11-21)35-18-34-24)16-26-30-23(17-33-26)27(32)29-13-22-6-3-9-28-12-22/h2-12,17H,13-16,18H2,1H3,(H,29,32)

InChI Key

XTFGOZGJVBCSLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19830360

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

470.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.593

Distribution Coefficient, logD

3.592

Water Solubility, LogSw

-3.39

Polar Surface Area

73.131

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

4.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

V015-9159 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 V015-9159 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-9159?
Check Price and Availability of V015-9159, 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 V015-9159 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-9159
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-9159
  • 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 V015-9159 available by request