D301-0180 Screening compound: 2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile

D301-0180 Screening compound: 2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile
D301-0180 Screening compound: 2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0180
2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-5-{[2-(morpholin-4-yl)ethyl]amino}-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

D301-0180

Molecular Formula

C22H24N4O5 (C22 H24 N4 O5)

Compound Name

2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-5-{[2-(morpholin-4-yl)ethyl]amino}-1,3-oxazole-4-carbonitrile

IUPAC name

2-{5-[(4-methoxyphenoxy)methyl]furan-2-yl}-5-{[2-(morpholin-4-yl)ethyl]amino}-13-oxazole-4-carbonitrile

SMILES

COc(cc1)ccc1OCc1ccc(-c2nc(C#N)c(NCCN3CCOCC3)o2)o1

InChI

InChI=1S/C22H24N4O5/c1-27-16-2-4-17(5-3-16)29-15-18-6-7-20(30-18)22-25-19(14-23)21(31-22)24-8-9-26-10-12-28-13-11-26/h2-7,24H,8-13,15H2,1H3

InChI Key

CHAULSWHNLGPQA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.584

Distribution Coefficient, logD

2.516

Water Solubility, LogSw

-2.83

Polar Surface Area

80.623

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D301-0180 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D301-0180 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0180?
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What is the minimum amount of D301-0180 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0180
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0180
  • 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 D301-0180 available by request