C151-0671 Screening compound: (2E,6E)-4-tert-butyl-2,6-bis[(3-methylthiophen-2-yl)methylidene]cyclohexan-1-one

C151-0671 Screening compound: (2E,6E)-4-tert-butyl-2,6-bis[(3-methylthiophen-2-yl)methylidene]cyclohexan-1-one
C151-0671 Screening compound: (2E,6E)-4-tert-butyl-2,6-bis[(3-methylthiophen-2-yl)methylidene]cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0671
(2E,6E)-4-tert-butyl-2,6-bis[(3-methylthiophen-2-yl)methylidene]cyclohexan-1-one

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

C151-0671

Molecular Formula

C22H26OS2 (C22 H26 OS2)

Compound Name

(2E,6E)-4-tert-butyl-2,6-bis[(3-methylthiophen-2-yl)methylidene]cyclohexan-1-one

IUPAC name

(2E6E)-4-tert-butyl-26-bis[(3-methylthiophen-2-yl)methylidene]cyclohexan-1-one

SMILES

CC(C)(C)C(C/C(/C1=O)=C\c2c(C)ccs2)C/C1=C\c1c(C)ccs1

InChI

InChI=1S/C22H26OS2/c1-14-6-8-24-19(14)12-16-10-18(22(3,4)5)11-17(21(16)23)13-20-15(2)7-9-25-20/h6-9,12-13,18H,10-11H2,1-5H3

InChI Key

IGCUZBSTHFRYCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.58

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.191

Distribution Coefficient, logD

7.191

Water Solubility, LogSw

-5.69

Polar Surface Area

15.071

Acid Dissociation Constant (pKa)

28.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C151-0671 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C151-0671 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0671?
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What is the minimum amount of C151-0671 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0671
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0671
  • 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 C151-0671 available by request