D301-0087 Screening compound: 2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile

D301-0087 Screening compound: 2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile
D301-0087 Screening compound: 2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[(oxolan-2-yl)methyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D301-0087
2-{5-[(4-methylphenoxy)methyl]furan-2-yl}-5-{[(oxolan-2-yl)methyl]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

D301-0087

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1OCc1ccc(-c2nc(C#N)c(NCC3OCCC3)o2)o1

InChI

InChI=1S/C21H21N3O4/c1-14-4-6-15(7-5-14)26-13-17-8-9-19(27-17)21-24-18(11-22)20(28-21)23-12-16-3-2-10-25-16/h4-9,16,23H,2-3,10,12-13H2,1H3/t16-/m1/s1

InChI Key

GSNLZTFFYCGMOH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD18170157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.542

Distribution Coefficient, logD

3.542

Water Solubility, LogSw

-3.47

Polar Surface Area

70.001

Acid Dissociation Constant (pKa)

16.47

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D301-0087 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D301-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D301-0087?
Check Price and Availability of D301-0087, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D301-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D301-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D301-0087
  • 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 D301-0087 available by request