V027-8756 Screening compound: 2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)methyl]amino]methyl}-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide

V027-8756 Screening compound: 2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)methyl]amino]methyl}-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide
V027-8756 Screening compound: 2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)methyl]amino]methyl}-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-8756
2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)methyl]amino]methyl}-N-[2-(pyridin-2-yl)ethyl]-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

V027-8756

Molecular Formula

C25H32N4O4 (C25 H32 N4 O4)

Compound Name

2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)methyl]amino]methyl}-N-[2-(pyridin-2-yl)ethyl]-1,3-oxazole-4-carboxamide

IUPAC name

2-{[(butan-2-yl)[(25-dimethoxyphenyl)methyl]amino]methyl}-N-[2-(pyridin-2-yl)ethyl]-13-oxazole-4-carboxamide

SMILES

CCC(C)N(Cc1nc(C(NCCc2ncccc2)=O)co1)Cc(cc(cc1)OC)c1OC

InChI

InChI=1S/C25H32N4O4/c1-5-18(2)29(15-19-14-21(31-3)9-10-23(19)32-4)16-24-28-22(17-33-24)25(30)27-13-11-20-8-6-7-12-26-20/h6-10,12,14,17-18H,5,11,13,15-16H2,1-4H3,(H,27,30)/t18-/m0/s1

InChI Key

XXKOKZOMVPXQDI-SFHVURJKSA-N

MDL Number (MFCD)

MFCD19831672

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.162

Distribution Coefficient, logD

3.139

Water Solubility, LogSw

-3.37

Polar Surface Area

70.548

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V027-8756 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with V027-8756 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-8756?
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What is the minimum amount of V027-8756 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-8756
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-8756
  • 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 V027-8756 available by request