6487-0105 Screening compound: 2-[(2-fluorophenoxy)methyl]-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile

6487-0105 Screening compound: 2-[(2-fluorophenoxy)methyl]-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile
6487-0105 Screening compound: 2-[(2-fluorophenoxy)methyl]-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 6487-0105
2-[(2-fluorophenoxy)methyl]-5-[(prop-2-en-1-yl)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

6487-0105

Molecular Formula

C14H12FN3O2 (C14 H12 FN3 O2)

Compound Name

2-[(2-fluorophenoxy)methyl]-5-[(prop-2-en-1-yl)amino]-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(2-fluorophenoxy)methyl]-5-[(prop-2-en-1-yl)amino]-13-oxazole-4-carbonitrile

SMILES

C=CCNc1c(C#N)nc(COc(cccc2)c2F)o1

InChI

InChI=1S/C14H12FN3O2/c1-2-7-17-14-11(8-16)18-13(20-14)9-19-12-6-4-3-5-10(12)15/h2-6,17H,1,7,9H2

InChI Key

XHCQKPJRECVRTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03523442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.27

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.444

Distribution Coefficient, logD

2.444

Water Solubility, LogSw

-2.60

Polar Surface Area

53.642

Acid Dissociation Constant (pKa)

13.15

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6487-0105 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 6487-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6487-0105?
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What is the minimum amount of 6487-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6487-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6487-0105
  • 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 6487-0105 available by request