D151-0514 Screening compound: 5-{[(oxolan-2-yl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

D151-0514 Screening compound: 5-{[(oxolan-2-yl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile
D151-0514 Screening compound: 5-{[(oxolan-2-yl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D151-0514
5-{[(oxolan-2-yl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

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

D151-0514

Molecular Formula

C20H23N3O5 (C20 H23 N3 O5)

Compound Name

5-{[(oxolan-2-yl)methyl]amino}-2-[(1E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-1,3-oxazole-4-carbonitrile

IUPAC name

5-{[(oxolan-2-yl)methyl]amino}-2-[(1E)-2-(345-trimethoxyphenyl)ethenyl]-13-oxazole-4-carbonitrile

SMILES

COc1cc(/C=C/c2nc(C#N)c(NCC3OCCC3)o2)cc(OC)c1OC

InChI

InChI=1S/C20H23N3O5/c1-24-16-9-13(10-17(25-2)19(16)26-3)6-7-18-23-15(11-21)20(28-18)22-12-14-5-4-8-27-14/h6-7,9-10,14,22H,4-5,8,12H2,1-3H3/t14-/m1/s1

InChI Key

ZZBFAZWJZYUAJN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06437800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.368

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-2.50

Polar Surface Area

77.575

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

-5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

D151-0514 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D151-0514 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D151-0514?
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What is the minimum amount of D151-0514 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D151-0514
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D151-0514
  • 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 D151-0514 available by request