C151-0580 Screening compound: (2E,6E)-4-tert-butyl-2,6-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one

C151-0580 Screening compound: (2E,6E)-4-tert-butyl-2,6-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one
C151-0580 Screening compound: (2E,6E)-4-tert-butyl-2,6-bis[(3-nitrophenyl)methylidene]cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0580
(2E,6E)-4-tert-butyl-2,6-bis[(3-nitrophenyl)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

C151-0580

Molecular Formula

C24H24N2O5 (C24 H24 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)C(C/C(/C1=O)=C\c2cc([N+]([O-])=O)ccc2)C/C1=C\c1cccc([N+]([O-])=O)c1

InChI

InChI=1S/C24H24N2O5/c1-24(2,3)20-14-18(10-16-6-4-8-21(12-16)25(28)29)23(27)19(15-20)11-17-7-5-9-22(13-17)26(30)31/h4-13,20H,14-15H2,1-3H3

InChI Key

OFJFTPGESUQDSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722854

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.322

Distribution Coefficient, logD

6.322

Water Solubility, LogSw

-5.52

Polar Surface Area

79.797

Acid Dissociation Constant (pKa)

28.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with C151-0580 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0580?
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What is the minimum amount of C151-0580 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0580
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0580
  • 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 C151-0580 available by request