8006-8400 Screening compound: 2-[(E)-[(4-bromothiophen-2-yl)methylidene]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

8006-8400 Screening compound: 2-[(E)-[(4-bromothiophen-2-yl)methylidene]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
8006-8400 Screening compound: 2-[(E)-[(4-bromothiophen-2-yl)methylidene]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8400
2-[(E)-[(4-bromothiophen-2-yl)methylidene]amino]-6-tert-butyl-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

8006-8400

Molecular Formula

C18H19BrN2S2 (C18 H19 BrN2 S2)

Compound Name

2-[(E)-[(4-bromothiophen-2-yl)methylidene]amino]-6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

IUPAC name

2-[(E)-[(4-bromothiophen-2-yl)methylidene]amino]-6-tert-butyl-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

CC(C)(C)C(CC1)Cc2c1c(C#N)c(/N=C/c1cc(Br)cs1)s2

InChI

InChI=1S/C18H19BrN2S2/c1-18(2,3)11-4-5-14-15(8-20)17(23-16(14)6-11)21-9-13-7-12(19)10-22-13/h7,9-11H,4-6H2,1-3H3/t11-/m1/s1

InChI Key

AOGSGSPHFZZOLL-LLVKDONJSA-N

MDL Number (MFCD)

MFCD00826911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.477

Distribution Coefficient, logD

6.477

Water Solubility, LogSw

-5.87

Polar Surface Area

26.155

Acid Dissociation Constant (pKa)

25.60

Base Dissociation Constant (pKb)

-1.59

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

8006-8400 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8006-8400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8400?
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What is the minimum amount of 8006-8400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8400
  • 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 8006-8400 available by request