3260-0252 Screening compound: 1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-2-(2,3-dihydro-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl)-1-ethanone

3260-0252 Screening compound: 1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-2-(2,3-dihydro-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl)-1-ethanone
3260-0252 Screening compound: 1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-2-(2,3-dihydro-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 3260-0252
1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-2-(2,3-dihydro-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl)-1-ethanone

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

3260-0252

Molecular Formula

C25H31N3O2 (C25 H31 N3 O2)

Compound Name

1-[3,5-di(tert-butyl)-4-hydroxyphenyl]-2-(2,3-dihydro-9H-imidazo[1,2-a][1,3]benzimidazol-9-yl)-1-ethanone

IUPAC name

1-(35-di-tert-butyl-4-hydroxyphenyl)-2-{257-triazatricyclo[6.4.0.0^{26}]dodeca-1(12)5810-tetraen-7-yl}ethan-1-one

SMILES

CC(C)(C)c1cc(C(CN2C3=NCCN3c3c2cccc3)=O)cc(C(C)(C)C)c1O

InChI

InChI=1S/C25H31N3O2/c1-24(2,3)17-13-16(14-18(22(17)30)25(4,5)6)21(29)15-28-20-10-8-7-9-19(20)27-12-11-26-23(27)28/h7-10,13-14,30H,11-12,15H2,1-6H3

InChI Key

WBYCZVUGORBLAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01055169

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

405.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.432

Distribution Coefficient, logD

4.714

Water Solubility, LogSw

-5.21

Polar Surface Area

44.578

Acid Dissociation Constant (pKa)

9.28

Base Dissociation Constant (pKb)

8.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

3260-0252 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Ion Channels Focused Library (26372 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3260-0252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3260-0252?
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What is the minimum amount of 3260-0252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3260-0252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3260-0252
  • 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 3260-0252 available by request