8006-1537 Screening compound: 2-[(E)-[(5-iodothiophen-2-yl)methylidene]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

8006-1537 Screening compound: 2-[(E)-[(5-iodothiophen-2-yl)methylidene]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
8006-1537 Screening compound: 2-[(E)-[(5-iodothiophen-2-yl)methylidene]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-1537
2-[(E)-[(5-iodothiophen-2-yl)methylidene]amino]-6-methyl-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

8006-1537

Molecular Formula

C15H13IN2S2 (C15 H13 IN2 S2)

Compound Name

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

IUPAC name

2-[(E)-[(5-iodothiophen-2-yl)methylidene]amino]-6-methyl-4567-tetrahydro-1-benzothiophene-3-carbonitrile

SMILES

CC(CC1)Cc2c1c(C#N)c(/N=C/c(s1)ccc1I)s2

InChI

InChI=1S/C15H13IN2S2/c1-9-2-4-11-12(7-17)15(20-13(11)6-9)18-8-10-3-5-14(16)19-10/h3,5,8-9H,2,4,6H2,1H3/t9-/m1/s1

InChI Key

UPILOLXFEXGYNP-SECBINFHSA-N

MDL Number (MFCD)

MFCD00823597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.508

Distribution Coefficient, logD

5.508

Water Solubility, LogSw

-5.71

Polar Surface Area

26.155

Acid Dissociation Constant (pKa)

23.67

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

8006-1537 in Drug Discovery

Included in Screening Libraries

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-1537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-1537?
Check Price and Availability of 8006-1537, 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 8006-1537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-1537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-1537
  • 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 8006-1537 available by request