D277-0857 Screening compound: 2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazole

D277-0857 Screening compound: 2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazole
D277-0857 Screening compound: 2-[(azepan-1-yl)methyl]-1-ethyl-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-0857
2-[(azepan-1-yl)methyl]-1-ethyl-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

D277-0857

Molecular Formula

C16H23N3 (C16 H23 N3)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cccc2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C16H23N3/c1-2-19-15-10-6-5-9-14(15)17-16(19)13-18-11-7-3-4-8-12-18/h5-6,9-10H,2-4,7-8,11-13H2,1H3

InChI Key

GQRNOEDEKNHDLC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07394484

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

257.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

3.234

Water Solubility, LogSw

-3.37

Polar Surface Area

15.203

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

7.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

D277-0857 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D277-0857 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-0857?
Check Price and Availability of D277-0857, 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 D277-0857 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-0857
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-0857
  • 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 D277-0857 available by request