D025-0044 Screening compound: 2-(4-bromophenyl)-4-[(4-hydroxybutyl)amino]-3-phenylbutan-2-ol

D025-0044 Screening compound: 2-(4-bromophenyl)-4-[(4-hydroxybutyl)amino]-3-phenylbutan-2-ol
D025-0044 Screening compound: 2-(4-bromophenyl)-4-[(4-hydroxybutyl)amino]-3-phenylbutan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D025-0044
2-(4-bromophenyl)-4-[(4-hydroxybutyl)amino]-3-phenylbutan-2-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

D025-0044

Molecular Formula

C20H26BrNO2 (C20 H26 BrNO2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H26BrNO2/c1-20(24,17-9-11-18(21)12-10-17)19(15-22-13-5-6-14-23)16-7-3-2-4-8-16/h2-4,7-12,19,22-24H,5-6,13-15H2,1H3

InChI Key

AWHMNWPJVCKANO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811048

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

392.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.341

Distribution Coefficient, logD

1.014

Water Solubility, LogSw

-3.08

Polar Surface Area

43.895

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

9.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

D025-0044 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with D025-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D025-0044?
Check Price and Availability of D025-0044, 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 D025-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D025-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D025-0044
  • 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 D025-0044 available by request