2047-9764 Screening compound: 2-bromo-6-methoxy-4-{[(4Z)-2-(4-methoxy-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

2047-9764 Screening compound: 2-bromo-6-methoxy-4-{[(4Z)-2-(4-methoxy-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
2047-9764 Screening compound: 2-bromo-6-methoxy-4-{[(4Z)-2-(4-methoxy-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2047-9764
2-bromo-6-methoxy-4-{[(4Z)-2-(4-methoxy-3-nitrophenyl)-5-oxo-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

2047-9764

Molecular Formula

C20H15BrN2O8 (C20 H15 BrN2 O8)

Compound Name

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

IUPAC name

2-bromo-6-methoxy-4-{[(4Z)-2-(4-methoxy-3-nitrophenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}phenyl acetate

SMILES

CC(Oc(c(OC)cc(/C=C1\N=C(c(cc2)cc([N+]([O-])=O)c2OC)OC1=O)c1)c1Br)=O

InChI

InChI=1S/C20H15BrN2O8/c1-10(24)30-18-13(21)6-11(8-17(18)29-3)7-14-20(25)31-19(22-14)12-4-5-16(28-2)15(9-12)23(26)27/h4-9H,1-3H3

InChI Key

CTJMDZFQOGJYAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247651

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.25

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.917

Distribution Coefficient, logD

2.917

Water Solubility, LogSw

-3.54

Polar Surface Area

99.641

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-2.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 2047-9764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2047-9764?
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What is the minimum amount of 2047-9764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2047-9764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2047-9764
  • 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 2047-9764 available by request