2084-9960 Screening compound: 4-({[(4Z)-2-(4-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid

2084-9960 Screening compound: 4-({[(4Z)-2-(4-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid
2084-9960 Screening compound: 4-({[(4Z)-2-(4-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2084-9960
4-({[(4Z)-2-(4-bromophenyl)-5-oxo-4,5-dihydro-1,3-oxazol-4-ylidene]methyl}amino)benzoic acid

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

2084-9960

Molecular Formula

C17H11BrN2O4 (C17 H11 BrN2 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(c(cc1)ccc1N/C=C1\N=C(c(cc2)ccc2Br)OC1=O)=O

InChI

InChI=1S/C17H11BrN2O4/c18-12-5-1-10(2-6-12)15-20-14(17(23)24-15)9-19-13-7-3-11(4-8-13)16(21)22/h1-9,19H,(H,21,22)

InChI Key

SZYDJPXRBARNPK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01931233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.724

Distribution Coefficient, logD

1.329

Water Solubility, LogSw

-4.23

Polar Surface Area

70.385

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 2084-9960 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2084-9960?
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What is the minimum amount of 2084-9960 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2084-9960
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2084-9960
  • 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 2084-9960 available by request