1989-9366 Screening compound: 2-bromo-6-methoxy-4-{[(4Z)-2-(4-methyl-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate

1989-9366 Screening compound: 2-bromo-6-methoxy-4-{[(4Z)-2-(4-methyl-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate
1989-9366 Screening compound: 2-bromo-6-methoxy-4-{[(4Z)-2-(4-methyl-3-nitrophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9366
2-bromo-6-methoxy-4-{[(4Z)-2-(4-methyl-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

1989-9366

Molecular Formula

C20H15BrN2O7 (C20 H15 BrN2 O7)

Compound Name

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

SMILES

CC(Oc(c(OC)cc(/C=C1\N=C(c2cc([N+]([O-])=O)c(C)cc2)OC1=O)c1)c1Br)=O

InChI

InChI=1S/C20H15BrN2O7/c1-10-4-5-13(9-16(10)23(26)27)19-22-15(20(25)30-19)7-12-6-14(21)18(29-11(2)24)17(8-12)28-3/h4-9H,1-3H3

InChI Key

VODJLZZOXRVFTA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01169529

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.25

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-4.21

Polar Surface Area

92.011

Acid Dissociation Constant (pKa)

22.43

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 1989-9366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9366?
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What is the minimum amount of 1989-9366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9366
  • 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 1989-9366 available by request