8008-1407 Screening compound: ethyl 4-cyano-5-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylfuran-3-carboxylate

8008-1407 Screening compound: ethyl 4-cyano-5-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylfuran-3-carboxylate
8008-1407 Screening compound: ethyl 4-cyano-5-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylfuran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-1407
ethyl 4-cyano-5-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylfuran-3-carboxylate

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

8008-1407

Molecular Formula

C16H12Br2N2O4 (C16 H12 Br2 N2 O4)

Compound Name

ethyl 4-cyano-5-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylfuran-3-carboxylate

IUPAC name

ethyl 4-cyano-5-[(E)-[(35-dibromo-2-hydroxyphenyl)methylidene]amino]-2-methylfuran-3-carboxylate

SMILES

CCOC(c1c(C)oc(/N=C/c2cc(Br)cc(Br)c2O)c1C#N)=O

InChI

InChI=1S/C16H12Br2N2O4/c1-3-23-16(22)13-8(2)24-15(11(13)6-19)20-7-9-4-10(17)5-12(18)14(9)21/h4-5,7,21H,3H2,1-2H3

InChI Key

XBVJRNHSFAXFKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01240495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.09

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.247

Distribution Coefficient, logD

4.085

Water Solubility, LogSw

-4.10

Polar Surface Area

70.261

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

1.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8008-1407 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-1407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-1407?
Check Price and Availability of 8008-1407, 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 8008-1407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-1407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-1407
  • 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 8008-1407 available by request