8013-3557 Screening compound: 2-(3,4-dimethoxyphenyl)-1-(3-methylbutyl)-1H-1,3-benzodiazole

8013-3557 Screening compound: 2-(3,4-dimethoxyphenyl)-1-(3-methylbutyl)-1H-1,3-benzodiazole
8013-3557 Screening compound: 2-(3,4-dimethoxyphenyl)-1-(3-methylbutyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3557
2-(3,4-dimethoxyphenyl)-1-(3-methylbutyl)-1H-1,3-benzodiazole

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

8013-3557

Molecular Formula

C20H24N2O2 (C20 H24 N2 O2)

Compound Name

2-(3,4-dimethoxyphenyl)-1-(3-methylbutyl)-1H-1,3-benzodiazole

IUPAC name

2-(34-dimethoxyphenyl)-1-(3-methylbutyl)-1H-13-benzodiazole

SMILES

CC(C)CCn1c(-c(cc2)cc(OC)c2OC)nc2c1cccc2

InChI

InChI=1S/C20H24N2O2/c1-14(2)11-12-22-17-8-6-5-7-16(17)21-20(22)15-9-10-18(23-3)19(13-15)24-4/h5-10,13-14H,11-12H2,1-4H3

InChI Key

KTHRWLXJBVXNHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02630693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.198

Distribution Coefficient, logD

5.191

Water Solubility, LogSw

-5.15

Polar Surface Area

25.406

Acid Dissociation Constant (pKa)

22.91

Base Dissociation Constant (pKb)

5.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

8013-3557 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-3557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3557?
Check Price and Availability of 8013-3557, 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 8013-3557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3557
  • 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 8013-3557 available by request