8001-7898 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-butoxybenzamide

8001-7898 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-butoxybenzamide
8001-7898 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-butoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-7898
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-butoxybenzamide

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

8001-7898

Molecular Formula

C31H47NO3 (C31 H47 NO3)

Compound Name

N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-butoxybenzamide

IUPAC name

N-{4-[24-bis(2-methylbutan-2-yl)phenoxy]butyl}-4-butoxybenzamide

SMILES

CCCCOc(cc1)ccc1C(NCCCCOc1c(C(C)(C)CC)cc(C(C)(C)CC)cc1)=O

InChI

InChI=1S/C31H47NO3/c1-8-11-21-34-26-17-14-24(15-18-26)29(33)32-20-12-13-22-35-28-19-16-25(30(4,5)9-2)23-27(28)31(6,7)10-3/h14-19,23H,8-13,20-22H2,1-7H3,(H,32,33)

InChI Key

FRDYQSRNSHBAAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

8.597

Distribution Coefficient, logD

8.597

Water Solubility, LogSw

-5.71

Polar Surface Area

39.415

Acid Dissociation Constant (pKa)

13.85

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.10

8001-7898 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8001-7898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-7898?
Check Price and Availability of 8001-7898, 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 8001-7898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-7898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-7898
  • 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 8001-7898 available by request