J077-1391 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamide

J077-1391 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamide
J077-1391 Screening compound: N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound J077-1391
N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamide

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

J077-1391

Molecular Formula

C27H27N5O2 (C27 H27 N5 O2)

Compound Name

N-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-3-(3-benzyl-2-oxo-1,3-diazinan-1-yl)benzamide

IUPAC name

N-[2-(1H-13-benzodiazol-2-yl)ethyl]-3-(3-benzyl-2-oxo-13-diazinan-1-yl)benzamide

SMILES

O=C(c1cccc(N(CCCN2Cc3ccccc3)C2=O)c1)NCCc1nc(cccc2)c2[nH]1

InChI

InChI=1S/C27H27N5O2/c33-26(28-15-14-25-29-23-12-4-5-13-24(23)30-25)21-10-6-11-22(18-21)32-17-7-16-31(27(32)34)19-20-8-2-1-3-9-20/h1-6,8-13,18H,7,14-17,19H2,(H,28,33)(H,29,30)

InChI Key

GBFQPGVUKGUBST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856829

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.14

Polar Surface Area

64.333

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

J077-1391 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 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 J077-1391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J077-1391?
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What is the minimum amount of J077-1391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J077-1391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J077-1391
  • 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 J077-1391 available by request