0957-0018 Screening compound: 3,4-dibromo-2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxyphenol

0957-0018 Screening compound: 3,4-dibromo-2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxyphenol
0957-0018 Screening compound: 3,4-dibromo-2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0957-0018
3,4-dibromo-2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxyphenol

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

0957-0018

Molecular Formula

C26H24Br2N2O3 (C26 H24 Br2 N2 O3)

Compound Name

3,4-dibromo-2-[(E)-{[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]imino}methyl]-6-ethoxyphenol

IUPAC name

34-dibromo-2-[(E)-{[2-(4-tert-butylphenyl)-13-benzoxazol-5-yl]imino}methyl]-6-ethoxyphenol

SMILES

CCOc(c(O)c1/C=N/c(cc2)cc3c2oc(-c2ccc(C(C)(C)C)cc2)n3)cc(Br)c1Br

InChI

InChI=1S/C26H24Br2N2O3/c1-5-32-22-13-19(27)23(28)18(24(22)31)14-29-17-10-11-21-20(12-17)30-25(33-21)15-6-8-16(9-7-15)26(2,3)4/h6-14,31H,5H2,1-4H3

InChI Key

RWVWVXBARSFWLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00650258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

572.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.292

Distribution Coefficient, logD

7.987

Water Solubility, LogSw

-5.64

Polar Surface Area

47.866

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

4.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 0957-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0957-0018?
Check Price and Availability of 0957-0018, 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 0957-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0957-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0957-0018
  • 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 0957-0018 available by request