7661-0038 Screening compound: 1-(4-bromophenoxy)-3-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]propan-2-ol

7661-0038 Screening compound: 1-(4-bromophenoxy)-3-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]propan-2-ol
7661-0038 Screening compound: 1-(4-bromophenoxy)-3-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 7661-0038
1-(4-bromophenoxy)-3-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]propan-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

7661-0038

Molecular Formula

C17H17BrN2O3 (C17 H17 BrN2 O3)

Compound Name

1-(4-bromophenoxy)-3-[2-(hydroxymethyl)-1H-1,3-benzodiazol-1-yl]propan-2-ol

IUPAC name

1-(4-bromophenoxy)-3-[2-(hydroxymethyl)-1H-13-benzodiazol-1-yl]propan-2-ol

SMILES

OCc1nc(cccc2)c2n1CC(COc(cc1)ccc1Br)O

InChI

InChI=1S/C17H17BrN2O3/c18-12-5-7-14(8-6-12)23-11-13(22)9-20-16-4-2-1-3-15(16)19-17(20)10-21/h1-8,13,21-22H,9-11H2/t13-/m0/s1

InChI Key

OHUKUWCSWOJBPX-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD02365988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.380

Distribution Coefficient, logD

3.379

Water Solubility, LogSw

-3.16

Polar Surface Area

52.377

Acid Dissociation Constant (pKa)

14.71

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

7661-0038 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • Epigenetic
  • Receptor's ligands
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with 7661-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7661-0038?
Check Price and Availability of 7661-0038, 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 7661-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7661-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7661-0038
  • 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 7661-0038 available by request