8002-4039 Screening compound: methyl 4-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]benzoate

8002-4039 Screening compound: methyl 4-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]benzoate
8002-4039 Screening compound: methyl 4-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-4039
methyl 4-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]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

8002-4039

Molecular Formula

C22H15BrN2O3 (C22 H15 BrN2 O3)

Compound Name

methyl 4-[(E)-{[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]imino}methyl]benzoate

IUPAC name

methyl 4-[(E)-{[2-(3-bromophenyl)-13-benzoxazol-5-yl]imino}methyl]benzoate

SMILES

COC(c1ccc(/C=N/c(cc2)cc3c2oc(-c2cccc(Br)c2)n3)cc1)=O

InChI

InChI=1S/C22H15BrN2O3/c1-27-22(26)15-7-5-14(6-8-15)13-24-18-9-10-20-19(12-18)25-21(28-20)16-3-2-4-17(23)11-16/h2-13H,1H3

InChI Key

RXNMJZFQBSLDQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00732509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.559

Distribution Coefficient, logD

5.559

Water Solubility, LogSw

-5.65

Polar Surface Area

46.350

Acid Dissociation Constant (pKa)

33.85

Base Dissociation Constant (pKb)

3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

References: we are preparing a list of scientific research reports with 8002-4039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-4039?
Check Price and Availability of 8002-4039, 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 8002-4039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-4039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-4039
  • 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 8002-4039 available by request