D347-4080 Screening compound: 1-{1-[3-(2,6-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol

D347-4080 Screening compound: 1-{1-[3-(2,6-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol
D347-4080 Screening compound: 1-{1-[3-(2,6-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D347-4080
1-{1-[3-(2,6-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}butan-1-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

D347-4080

Molecular Formula

C22H28N2O2 (C22 H28 N2 O2)

Compound Name

1-{1-[3-(2,6-dimethylphenoxy)propyl]-1H-1,3-benzodiazol-2-yl}butan-1-ol

IUPAC name

1-{1-[3-(26-dimethylphenoxy)propyl]-1H-13-benzodiazol-2-yl}butan-1-ol

SMILES

CCCC(c1nc(cccc2)c2n1CCCOc1c(C)cccc1C)O

InChI

InChI=1S/C22H28N2O2/c1-4-9-20(25)22-23-18-12-5-6-13-19(18)24(22)14-8-15-26-21-16(2)10-7-11-17(21)3/h5-7,10-13,20,25H,4,8-9,14-15H2,1-3H3/t20-/m0/s1

InChI Key

HJWKMACMVCYFKM-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14821213

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.411

Distribution Coefficient, logD

5.409

Water Solubility, LogSw

-5.25

Polar Surface Area

33.889

Acid Dissociation Constant (pKa)

14.81

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D347-4080 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D347-4080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D347-4080?
Check Price and Availability of D347-4080, 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 D347-4080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D347-4080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D347-4080
  • 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 D347-4080 available by request