D025-0049 Screening compound: 3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylpentan-3-ol

D025-0049 Screening compound: 3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylpentan-3-ol
D025-0049 Screening compound: 3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylpentan-3-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D025-0049
3-(4-bromophenyl)-1-[(4-hydroxybutyl)amino]-2-phenylpentan-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

D025-0049

Molecular Formula

C21H28BrNO2 (C21 H28 BrNO2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H28BrNO2/c1-2-21(25,18-10-12-19(22)13-11-18)20(16-23-14-6-7-15-24)17-8-4-3-5-9-17/h3-5,8-13,20,23-25H,2,6-7,14-16H2,1H3

InChI Key

KWJAZTNSKVNVEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811053

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

406.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.644

Distribution Coefficient, logD

1.731

Water Solubility, LogSw

-3.72

Polar Surface Area

44.037

Acid Dissociation Constant (pKa)

15.21

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.90

D025-0049 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 D025-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D025-0049?
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What is the minimum amount of D025-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D025-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D025-0049
  • 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 D025-0049 available by request