1130-0499 Screening compound: 5'-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2'-(furan-2-yl)-[2,3'-bifuran]-4'-carbonitrile

1130-0499 Screening compound: 5'-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2'-(furan-2-yl)-[2,3'-bifuran]-4'-carbonitrile
1130-0499 Screening compound: 5'-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2'-(furan-2-yl)-[2,3'-bifuran]-4'-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 1130-0499
5'-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2'-(furan-2-yl)-[2,3'-bifuran]-4'-carbonitrile

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

1130-0499

Molecular Formula

C20H10Br2N2O4 (C20 H10 Br2 N2 O4)

Compound Name

5'-[(E)-[(3,5-dibromo-2-hydroxyphenyl)methylidene]amino]-2'-(furan-2-yl)-[2,3'-bifuran]-4'-carbonitrile

IUPAC name

5'-[(E)-[(35-dibromo-2-hydroxyphenyl)methylidene]amino]-2'-(furan-2-yl)-[23'-bifuran]-4'-carbonitrile

SMILES

N#Cc1c(/N=C/c2cc(Br)cc(Br)c2O)oc(-c2ccco2)c1-c1ccco1

InChI

InChI=1S/C20H10Br2N2O4/c21-12-7-11(18(25)14(22)8-12)10-24-20-13(9-23)17(15-3-1-5-26-15)19(28-20)16-4-2-6-27-16/h1-8,10,25H

InChI Key

NZTVWAURKBBJCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827289

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.12

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.388

Distribution Coefficient, logD

5.225

Water Solubility, LogSw

-5.70

Polar Surface Area

66.700

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

1130-0499 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1130-0499 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1130-0499?
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What is the minimum amount of 1130-0499 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1130-0499
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1130-0499
  • 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 1130-0499 available by request