2062-1226 Screening compound: 2,6-dibromo-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

2062-1226 Screening compound: 2,6-dibromo-4-{[(4Z)-5-oxo-2-phenyl-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
2062-1226 Screening compound: 2,6-dibromo-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 2062-1226
2,6-dibromo-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

2062-1226

Molecular Formula

C18H11Br2NO4 (C18 H11 Br2 NO4)

Compound Name

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

IUPAC name

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

SMILES

CC(Oc(c(Br)cc(/C=C1\N=C(c2ccccc2)OC1=O)c1)c1Br)=O

InChI

InChI=1S/C18H11Br2NO4/c1-10(22)24-16-13(19)7-11(8-14(16)20)9-15-18(23)25-17(21-15)12-5-3-2-4-6-12/h2-9H,1H3

InChI Key

MQVHIVAVBVKDSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00373484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.046

Distribution Coefficient, logD

4.046

Water Solubility, LogSw

-4.23

Polar Surface Area

51.300

Acid Dissociation Constant (pKa)

22.20

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

2062-1226 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2062-1226 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2062-1226?
Check Price and Availability of 2062-1226, 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 2062-1226 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2062-1226
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2062-1226
  • 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 2062-1226 available by request