1989-9515 Screening compound: 5-bromo-2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}amino)benzoic acid

1989-9515 Screening compound: 5-bromo-2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}amino)benzoic acid
1989-9515 Screening compound: 5-bromo-2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}amino)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1989-9515
5-bromo-2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]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

1989-9515

Molecular Formula

C17H10Br2N2O4 (C17 H10 Br2 N2 O4)

Compound Name

5-bromo-2-({[2-(2-bromophenyl)-5-oxo-1,3-oxazol-4(5H)-yliden]methyl}amino)benzoic acid

IUPAC name

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

SMILES

OC(c(cc(cc1)Br)c1N/C=C1\N=C(c(cccc2)c2Br)OC1=O)=O

InChI

InChI=1S/C17H10Br2N2O4/c18-9-5-6-13(11(7-9)16(22)23)20-8-14-17(24)25-15(21-14)10-3-1-2-4-12(10)19/h1-8,20H,(H,22,23)

InChI Key

MIKOVXIVHHSRFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01247481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.09

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

3.825

Distribution Coefficient, logD

0.172

Water Solubility, LogSw

-3.94

Polar Surface Area

69.687

Acid Dissociation Constant (pKa)

3.75

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1989-9515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1989-9515?
Check Price and Availability of 1989-9515, 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 1989-9515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1989-9515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1989-9515
  • 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 1989-9515 available by request