D277-0863 Screening compound: 2-(1-azepanylmethyl)-1-(2-propynyl)-1H-1,3-benzimidazole

D277-0863 Screening compound: 2-(1-azepanylmethyl)-1-(2-propynyl)-1H-1,3-benzimidazole
D277-0863 Screening compound: 2-(1-azepanylmethyl)-1-(2-propynyl)-1H-1,3-benzimidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-0863
2-(1-azepanylmethyl)-1-(2-propynyl)-1H-1,3-benzimidazole

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

D277-0863

Molecular Formula

C17H21N3 (C17 H21 N3)

Compound Name

2-(1-azepanylmethyl)-1-(2-propynyl)-1H-1,3-benzimidazole

IUPAC name

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

SMILES

C#CCn1c(cccc2)c2nc1CN1CCCCCC1

InChI

InChI=1S/C17H21N3/c1-2-11-20-16-10-6-5-9-15(16)18-17(20)14-19-12-7-3-4-8-13-19/h1,5-6,9-10H,3-4,7-8,11-14H2

InChI Key

WRERSZPJHFFJML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.37

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.490

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-3.48

Polar Surface Area

15.457

Acid Dissociation Constant (pKa)

22.32

Base Dissociation Constant (pKb)

6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.06

D277-0863 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D277-0863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-0863?
Check Price and Availability of D277-0863, 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 D277-0863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-0863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-0863
  • 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 D277-0863 available by request