D277-0899 Screening compound: 2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N-butyl-N-methylacetamide

D277-0899 Screening compound: 2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N-butyl-N-methylacetamide
D277-0899 Screening compound: 2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N-butyl-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D277-0899
2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N-butyl-N-methylacetamide

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

D277-0899

Molecular Formula

C21H32N4O (C21 H32 N4 O)

Compound Name

2-{2-[(azepan-1-yl)methyl]-1H-1,3-benzodiazol-1-yl}-N-butyl-N-methylacetamide

IUPAC name

2-{2-[(azepan-1-yl)methyl]-1H-13-benzodiazol-1-yl}-N-butyl-N-methylacetamide

SMILES

CCCCN(C)C(Cn1c(cccc2)c2nc1CN1CCCCCC1)=O

InChI

InChI=1S/C21H32N4O/c1-3-4-13-23(2)21(26)17-25-19-12-8-7-11-18(19)22-20(25)16-24-14-9-5-6-10-15-24/h7-8,11-12H,3-6,9-10,13-17H2,1-2H3

InChI Key

LTYPNJNUVHMAOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14816509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.325

Distribution Coefficient, logD

3.093

Water Solubility, LogSw

-3.45

Polar Surface Area

31.351

Acid Dissociation Constant (pKa)

17.85

Base Dissociation Constant (pKb)

7.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

D277-0899 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 D277-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D277-0899?
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What is the minimum amount of D277-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D277-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D277-0899
  • 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 D277-0899 available by request