D301-0080 Screening compound: 2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile

D301-0080 Screening compound: 2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile
D301-0080 Screening compound: 2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[3-(morpholin-4-yl)propyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0080
2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[3-(morpholin-4-yl)propyl]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

D301-0080

Molecular Formula

C23H26N4O4 (C23 H26 N4 O4)

Compound Name

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

IUPAC name

2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[3-(morpholin-4-yl)propyl]amino}-13-oxazole-4-carbonitrile

SMILES

Cc(cc1)ccc1OCc1ccc(-c2nc(C#N)c(NCCCN3CCOCC3)o2)o1

InChI

InChI=1S/C23H26N4O4/c1-17-3-5-18(6-4-17)29-16-19-7-8-21(30-19)23-26-20(15-24)22(31-23)25-9-2-10-27-11-13-28-14-12-27/h3-8,25H,2,9-14,16H2,1H3

InChI Key

ISDFEYXSISKQEB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09250367

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.148

Distribution Coefficient, logD

2.954

Water Solubility, LogSw

-3.04

Polar Surface Area

73.079

Acid Dissociation Constant (pKa)

17.80

Base Dissociation Constant (pKb)

7.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

D301-0080 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 D301-0080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0080?
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What is the minimum amount of D301-0080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0080
  • 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 D301-0080 available by request