1989-9473 Screening compound: methyl 4-({[(4Z)-2-(2-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate

1989-9473 Screening compound: methyl 4-({[(4Z)-2-(2-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate
1989-9473 Screening compound: methyl 4-({[(4Z)-2-(2-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9473
methyl 4-({[(4Z)-2-(2-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate

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

1989-9473

Molecular Formula

C18H13BrN2O4 (C18 H13 BrN2 O4)

Compound Name

methyl 4-({[(4Z)-2-(2-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoate

IUPAC name

methyl 4-({[(4Z)-2-(2-bromophenyl)-5-oxo-45-dihydro-13-oxazol-4-ylidene]methyl}amino)benzoate

SMILES

COC(c(cc1)ccc1N/C=C1\N=C(c(cccc2)c2Br)OC1=O)=O

InChI

InChI=1S/C18H13BrN2O4/c1-24-17(22)11-6-8-12(9-7-11)20-10-15-18(23)25-16(21-15)13-4-2-3-5-14(13)19/h2-10,20H,1H3

InChI Key

JLABVOQDCTZYHO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931119

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.405

Water Solubility, LogSw

-3.85

Polar Surface Area

63.150

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 1989-9473 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9473?
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What is the minimum amount of 1989-9473 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9473
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9473
  • 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 1989-9473 available by request