3260-0430 Screening compound: (1Z)-1-(4-tert-butylphenyl)-2-(1-methyl-1H-imidazol-2-yl)ethenyl 4-tert-butylbenzoate

3260-0430 Screening compound: (1Z)-1-(4-tert-butylphenyl)-2-(1-methyl-1H-imidazol-2-yl)ethenyl 4-tert-butylbenzoate
3260-0430 Screening compound: (1Z)-1-(4-tert-butylphenyl)-2-(1-methyl-1H-imidazol-2-yl)ethenyl 4-tert-butylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0430
(1Z)-1-(4-tert-butylphenyl)-2-(1-methyl-1H-imidazol-2-yl)ethenyl 4-tert-butylbenzoate

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

3260-0430

Molecular Formula

C27H32N2O2 (C27 H32 N2 O2)

Compound Name

(1Z)-1-(4-tert-butylphenyl)-2-(1-methyl-1H-imidazol-2-yl)ethenyl 4-tert-butylbenzoate

IUPAC name

(1Z)-1-(4-tert-butylphenyl)-2-(1-methyl-1H-imidazol-2-yl)ethenyl 4-tert-butylbenzoate

SMILES

CC(C)(C)c(cc1)ccc1/C(/OC(c1ccc(C(C)(C)C)cc1)=O)=C/c1nccn1C

InChI

InChI=1S/C27H32N2O2/c1-26(2,3)21-12-8-19(9-13-21)23(18-24-28-16-17-29(24)7)31-25(30)20-10-14-22(15-11-20)27(4,5)6/h8-18H,1-7H3

InChI Key

IVZBPGCHFUDYTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01816628

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.251

Distribution Coefficient, logD

7.251

Water Solubility, LogSw

-5.84

Polar Surface Area

32.968

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3260-0430 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3260-0430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0430?
Check Price and Availability of 3260-0430, 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 3260-0430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0430
  • 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 3260-0430 available by request