0958-0202 Screening compound: N-{3-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}-4-tert-butylbenzamide

0958-0202 Screening compound: N-{3-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}-4-tert-butylbenzamide
0958-0202 Screening compound: N-{3-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}-4-tert-butylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0958-0202
N-{3-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}-4-tert-butylbenzamide

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

0958-0202

Molecular Formula

C26H27BrN2O3 (C26 H27 BrN2 O3)

Compound Name

N-{3-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}-4-tert-butylbenzamide

IUPAC name

N-{3-[(E)-[(5-bromo-3-ethoxy-2-hydroxyphenyl)methylidene]amino]phenyl}-4-tert-butylbenzamide

SMILES

CCOc(cc(cc1/C=N/c2cc(NC(c3ccc(C(C)(C)C)cc3)=O)ccc2)Br)c1O

InChI

InChI=1S/C26H27BrN2O3/c1-5-32-23-14-20(27)13-18(24(23)30)16-28-21-7-6-8-22(15-21)29-25(31)17-9-11-19(12-10-17)26(2,3)4/h6-16,30H,5H2,1-4H3,(H,29,31)

InChI Key

PRAKPHWTQVFGFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00288905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.387

Distribution Coefficient, logD

7.320

Water Solubility, LogSw

-5.47

Polar Surface Area

54.146

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

0.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

References: we are preparing a list of scientific research reports with 0958-0202 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0958-0202?
Check Price and Availability of 0958-0202, 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 0958-0202 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0958-0202
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0958-0202
  • 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 0958-0202 available by request