D301-0300 Screening compound: 5-(cyclohexylamino)-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile

D301-0300 Screening compound: 5-(cyclohexylamino)-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile
D301-0300 Screening compound: 5-(cyclohexylamino)-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0300
5-(cyclohexylamino)-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-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

D301-0300

Molecular Formula

C22H23N3O3 (C22 H23 N3 O3)

Compound Name

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

IUPAC name

5-(cyclohexylamino)-2-{5-[(2-methylphenoxy)methyl]furan-2-yl}-13-oxazole-4-carbonitrile

SMILES

Cc(cccc1)c1OCc1ccc(-c2nc(C#N)c(NC3CCCCC3)o2)o1

InChI

InChI=1S/C22H23N3O3/c1-15-7-5-6-10-19(15)26-14-17-11-12-20(27-17)22-25-18(13-23)21(28-22)24-16-8-3-2-4-9-16/h5-7,10-12,16,24H,2-4,8-9,14H2,1H3

InChI Key

BPWOZAAUECIJAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14817403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.354

Distribution Coefficient, logD

5.354

Water Solubility, LogSw

-5.33

Polar Surface Area

61.158

Acid Dissociation Constant (pKa)

17.76

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

D301-0300 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

PD-1/L1 Library (498 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
  • Others

References: we are preparing a list of scientific research reports with D301-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0300?
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What is the minimum amount of D301-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0300
  • 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 D301-0300 available by request