V010-6048 Screening compound: 2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)methyl]amino]methyl}-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide

V010-6048 Screening compound: 2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)methyl]amino]methyl}-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide
V010-6048 Screening compound: 2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)methyl]amino]methyl}-N-[(pyridin-3-yl)methyl]-1,3-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-6048
2-{[(butan-2-yl)[(2,5-dimethoxyphenyl)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

V010-6048

Molecular Formula

C24H30N4O4 (C24 H30 N4 O4)

Compound Name

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

IUPAC name

2-{[(butan-2-yl)[(25-dimethoxyphenyl)methyl]amino]methyl}-N-[(pyridin-3-yl)methyl]-13-oxazole-4-carboxamide

SMILES

CCC(C)N(Cc1nc(C(NCc2cnccc2)=O)co1)Cc(cc(cc1)OC)c1OC

InChI

InChI=1S/C24H30N4O4/c1-5-17(2)28(14-19-11-20(30-3)8-9-22(19)31-4)15-23-27-21(16-32-23)24(29)26-13-18-7-6-10-25-12-18/h6-12,16-17H,5,13-15H2,1-4H3,(H,26,29)/t17-/m0/s1

InChI Key

XRQILXGZFJFZLQ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19832028

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.909

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.07

Polar Surface Area

70.681

Acid Dissociation Constant (pKa)

13.29

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

V010-6048 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 V010-6048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-6048?
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What is the minimum amount of V010-6048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-6048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-6048
  • 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 V010-6048 available by request