V010-0590 Screening compound: 2-({[(2-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide

V010-0590 Screening compound: 2-({[(2-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide
V010-0590 Screening compound: 2-({[(2-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0590
2-({[(2-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(oxolan-2-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

V010-0590

Molecular Formula

C27H29ClN4O3 (C27 H29 ClN4 O3)

Compound Name

2-({[(2-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-({[(2-chlorophenyl)methyl][2-(1H-indol-3-yl)ethyl]amino}methyl)-N-[(oxolan-2-yl)methyl]-13-oxazole-4-carboxamide

SMILES

O=C(c1coc(CN(CCc2c[nH]c3c2cccc3)Cc(cccc2)c2Cl)n1)NCC1OCCC1

InChI

InChI=1S/C27H29ClN4O3/c28-23-9-3-1-6-20(23)16-32(12-11-19-14-29-24-10-4-2-8-22(19)24)17-26-31-25(18-35-26)27(33)30-15-21-7-5-13-34-21/h1-4,6,8-10,14,18,21,29H,5,7,11-13,15-17H2,(H,30,33)

InChI Key

YOUHLZZAIKFMPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19829315

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

493.01

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.862

Distribution Coefficient, logD

3.862

Water Solubility, LogSw

-4.24

Polar Surface Area

65.001

Acid Dissociation Constant (pKa)

13.68

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

V010-0590 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with V010-0590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0590?
Check Price and Availability of V010-0590, 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 V010-0590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0590
  • 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 V010-0590 available by request