D277-0868 Screening compound: 2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazole

D277-0868 Screening compound: 2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazole
D277-0868 Screening compound: 2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-0868
2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazole

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

D277-0868

Molecular Formula

C18H27N3 (C18 H27 N3)

Compound Name

2-[(azepan-1-yl)methyl]-1-butyl-1H-1,3-benzodiazole

IUPAC name

2-[(azepan-1-yl)methyl]-1-butyl-1H-13-benzodiazole

SMILES

CCCCn1c(cccc2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C18H27N3/c1-2-3-14-21-17-11-7-6-10-16(17)19-18(21)15-20-12-8-4-5-9-13-20/h6-7,10-11H,2-5,8-9,12-15H2,1H3

InChI Key

ZFIYAKHHRXZRNL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.291

Distribution Coefficient, logD

3.723

Water Solubility, LogSw

-3.90

Polar Surface Area

15.457

Acid Dissociation Constant (pKa)

24.19

Base Dissociation Constant (pKb)

7.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

D277-0868 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D277-0868 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-0868?
Check Price and Availability of D277-0868, 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 D277-0868 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-0868
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-0868
  • 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 D277-0868 available by request