5677-0269 Screening compound: 2-[(4-bromophenoxy)methyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile

5677-0269 Screening compound: 2-[(4-bromophenoxy)methyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile
5677-0269 Screening compound: 2-[(4-bromophenoxy)methyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 5677-0269
2-[(4-bromophenoxy)methyl]-5-{[2-(4-methoxyphenyl)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

5677-0269

Molecular Formula

C20H18BrN3O3 (C20 H18 BrN3 O3)

Compound Name

2-[(4-bromophenoxy)methyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-1,3-oxazole-4-carbonitrile

IUPAC name

2-[(4-bromophenoxy)methyl]-5-{[2-(4-methoxyphenyl)ethyl]amino}-13-oxazole-4-carbonitrile

SMILES

COc1ccc(CCNc2c(C#N)nc(COc(cc3)ccc3Br)o2)cc1

InChI

InChI=1S/C20H18BrN3O3/c1-25-16-6-2-14(3-7-16)10-11-23-20-18(12-22)24-19(27-20)13-26-17-8-4-15(21)5-9-17/h2-9,23H,10-11,13H2,1H3

InChI Key

RUKCAGUNSGKYII-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03523612

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.29

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.247

Water Solubility, LogSw

-4.33

Polar Surface Area

60.828

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5677-0269 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 5677-0269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5677-0269?
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What is the minimum amount of 5677-0269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5677-0269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5677-0269
  • 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 5677-0269 available by request