2082-0336 Screening compound: 2-[(E)-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

2082-0336 Screening compound: 2-[(E)-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
2082-0336 Screening compound: 2-[(E)-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2082-0336
2-[(E)-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-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

2082-0336

Molecular Formula

C20H13Br2N3O3S (C20 H13 Br2 N3 O3 S)

Compound Name

2-[(E)-{[5-(2,6-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

IUPAC name

2-[(E)-{[5-(26-dibromo-4-nitrophenyl)furan-2-yl]methylidene}amino]-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

N#Cc1c(/N=C/c2ccc(-c(c(Br)cc([N+]([O-])=O)c3)c3Br)o2)sc2c1CCCC2

InChI

InChI=1S/C20H13Br2N3O3S/c21-15-7-11(25(26)27)8-16(22)19(15)17-6-5-12(28-17)10-24-20-14(9-23)13-3-1-2-4-18(13)29-20/h5-8,10H,1-4H2

InChI Key

QAQCVBQVTKLYME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01158599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.22

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

7.069

Distribution Coefficient, logD

7.069

Water Solubility, LogSw

-6.25

Polar Surface Area

66.088

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with 2082-0336 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2082-0336?
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What is the minimum amount of 2082-0336 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2082-0336
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2082-0336
  • 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 2082-0336 available by request