7838-0076 Screening compound: 1-[3-(4-fluorophenoxy)propyl]-1H-1,3-benzodiazol-2-amine

7838-0076 Screening compound: 1-[3-(4-fluorophenoxy)propyl]-1H-1,3-benzodiazol-2-amine
7838-0076 Screening compound: 1-[3-(4-fluorophenoxy)propyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7838-0076
1-[3-(4-fluorophenoxy)propyl]-1H-1,3-benzodiazol-2-amine

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

7838-0076

Molecular Formula

C16H16FN3O (C16 H16 FN3 O)

Compound Name

1-[3-(4-fluorophenoxy)propyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-[3-(4-fluorophenoxy)propyl]-1H-13-benzodiazol-2-amine

SMILES

Nc1nc(cccc2)c2n1CCCOc(cc1)ccc1F

InChI

InChI=1S/C16H16FN3O/c17-12-6-8-13(9-7-12)21-11-3-10-20-15-5-2-1-4-14(15)19-16(20)18/h1-2,4-9H,3,10-11H2,(H2,18,19)

InChI Key

MLWASOHZCMLSTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06634168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.32

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.587

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.55

Polar Surface Area

38.325

Acid Dissociation Constant (pKa)

21.84

Base Dissociation Constant (pKb)

6.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

7838-0076 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 7838-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7838-0076?
Check Price and Availability of 7838-0076, 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 7838-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7838-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7838-0076
  • 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 7838-0076 available by request