D025-0048 Screening compound: 3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylnonan-3-ol

D025-0048 Screening compound: 3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylnonan-3-ol
D025-0048 Screening compound: 3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylnonan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D025-0048
3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylnonan-3-ol

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

D025-0048

Molecular Formula

C25H36BrNO2 (C25 H36 BrNO2)

Compound Name

3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylnonan-3-ol

IUPAC name

3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylnonan-3-ol

SMILES

CCCCCCC(C(CNCCCCO)c1ccccc1)(c(cc1)ccc1Br)O

InChI

InChI=1S/C25H36BrNO2/c1-2-3-4-8-17-25(29,22-13-15-23(26)16-14-22)24(20-27-18-9-10-19-28)21-11-6-5-7-12-21/h5-7,11-16,24,27-29H,2-4,8-10,17-20H2,1H3

InChI Key

YMKLQAMJYGSGIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811052

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

462.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

3.726

Water Solubility, LogSw

-5.57

Polar Surface Area

44.037

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.00

D025-0048 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D025-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D025-0048?
Check Price and Availability of D025-0048, 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 D025-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D025-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D025-0048
  • 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 D025-0048 available by request