2062-1251 Screening compound: 2-bromo-6-ethoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

2062-1251 Screening compound: 2-bromo-6-ethoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
2062-1251 Screening compound: 2-bromo-6-ethoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2062-1251
2-bromo-6-ethoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

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

2062-1251

Molecular Formula

C20H16BrNO5 (C20 H16 BrNO5)

Compound Name

2-bromo-6-ethoxy-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

IUPAC name

2-bromo-6-ethoxy-4-{[(4Z)-5-oxo-2-phenyl-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl acetate

SMILES

CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Br)c1OC(C)=O

InChI

InChI=1S/C20H16BrNO5/c1-3-25-17-11-13(9-15(21)18(17)26-12(2)23)10-16-20(24)27-19(22-16)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3

InChI Key

NUEYOUGCKNHXGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00362592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.25

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.614

Water Solubility, LogSw

-3.80

Polar Surface Area

58.510

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

2062-1251 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2062-1251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2062-1251?
Check Price and Availability of 2062-1251, 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 2062-1251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2062-1251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2062-1251
  • 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 2062-1251 available by request