0957-0147 Screening compound: 3,4-dibromo-2-[(E)-[(3,4-dimethoxyphenyl)imino]methyl]-6-ethoxyphenol

0957-0147 Screening compound: 3,4-dibromo-2-[(E)-[(3,4-dimethoxyphenyl)imino]methyl]-6-ethoxyphenol
0957-0147 Screening compound: 3,4-dibromo-2-[(E)-[(3,4-dimethoxyphenyl)imino]methyl]-6-ethoxyphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0957-0147
3,4-dibromo-2-[(E)-[(3,4-dimethoxyphenyl)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

0957-0147

Molecular Formula

C17H17Br2NO4 (C17 H17 Br2 NO4)

Compound Name

3,4-dibromo-2-[(E)-[(3,4-dimethoxyphenyl)imino]methyl]-6-ethoxyphenol

IUPAC name

34-dibromo-2-[(E)-[(34-dimethoxyphenyl)imino]methyl]-6-ethoxyphenol

SMILES

CCOc(c(O)c1/C=N/c(cc2)cc(OC)c2OC)cc(Br)c1Br

InChI

InChI=1S/C17H17Br2NO4/c1-4-24-15-8-12(18)16(19)11(17(15)21)9-20-10-5-6-13(22-2)14(7-10)23-3/h5-9,21H,4H2,1-3H3

InChI Key

NJUIRLYUTXPIQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00647104

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.13

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

4.641

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.33

Polar Surface Area

46.316

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

0957-0147 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0957-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0957-0147?
Check Price and Availability of 0957-0147, 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 0957-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0957-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0957-0147
  • 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 0957-0147 available by request