D277-0895 Screening compound: 2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N,N-bis(propan-2-yl)acetamide

D277-0895 Screening compound: 2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N,N-bis(propan-2-yl)acetamide
D277-0895 Screening compound: 2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N,N-bis(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-0895
2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N,N-bis(propan-2-yl)acetamide

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

D277-0895

Molecular Formula

C22H34N4O (C22 H34 N4 O)

Compound Name

2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N,N-bis(propan-2-yl)acetamide

IUPAC name

2-{2-[(azepan-1-yl)methyl]-1H-13-benzodiazol-1-yl}-NN-bis(propan-2-yl)acetamide

SMILES

CC(C)N(C(C)C)C(Cn1c(cccc2)c2nc1CN1CCCCCC1)=O

InChI

InChI=1S/C22H34N4O/c1-17(2)26(18(3)4)22(27)16-25-20-12-8-7-11-19(20)23-21(25)15-24-13-9-5-6-10-14-24/h7-8,11-12,17-18H,5-6,9-10,13-16H2,1-4H3

InChI Key

IOSVOTCVJFXJOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09983373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.697

Distribution Coefficient, logD

3.466

Water Solubility, LogSw

-3.71

Polar Surface Area

31.029

Acid Dissociation Constant (pKa)

19.59

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.60

D277-0895 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D277-0895 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-0895?
Check Price and Availability of D277-0895, 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 D277-0895 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-0895
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-0895
  • 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 D277-0895 available by request