6970-0064 Screening compound: 2-[4-(pentyloxy)benzoyl]-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-1-ol

6970-0064 Screening compound: 2-[4-(pentyloxy)benzoyl]-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-1-ol
6970-0064 Screening compound: 2-[4-(pentyloxy)benzoyl]-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6970-0064
2-[4-(pentyloxy)benzoyl]-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-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

6970-0064

Molecular Formula

C20H26N2O3 (C20 H26 N2 O3)

Compound Name

2-[4-(pentyloxy)benzoyl]-1H,4H,5H,6H,7H,8H-cyclohepta[d]imidazol-1-ol

IUPAC name

2-[4-(pentyloxy)benzoyl]-1H4H5H6H7H8H-cyclohepta[d]imidazol-1-ol

SMILES

CCCCCOc(cc1)ccc1C(c1nc(CCCCC2)c2n1O)=O

InChI

InChI=1S/C20H26N2O3/c1-2-3-7-14-25-16-12-10-15(11-13-16)19(23)20-21-17-8-5-4-6-9-18(17)22(20)24/h10-13,24H,2-9,14H2,1H3

InChI Key

KNYWLSWJVDTTRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07840761

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.890

Distribution Coefficient, logD

3.766

Water Solubility, LogSw

-4.47

Polar Surface Area

50.660

Acid Dissociation Constant (pKa)

6.31

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 6970-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6970-0064?
Check Price and Availability of 6970-0064, 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 6970-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6970-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6970-0064
  • 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 6970-0064 available by request