4708-0248 Screening compound: N~1~-{4-[(6-cyano-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-11-yl)amino]phenyl}acetamide

4708-0248 Screening compound: N~1~-{4-[(6-cyano-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-11-yl)amino]phenyl}acetamide
4708-0248 Screening compound: N~1~-{4-[(6-cyano-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-11-yl)amino]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4708-0248
N~1~-{4-[(6-cyano-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-11-yl)amino]phenyl}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

4708-0248

Molecular Formula

C24H21N5O (C24 H21 N5 O)

Compound Name

N~1~-{4-[(6-cyano-7,8,9,10-tetrahydro[1,3]benzimidazo[1,2-b]isoquinolin-11-yl)amino]phenyl}acetamide

IUPAC name

N-[4-({2-cyano-1017-diazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(17)2811(16)1214-hexaen-9-yl}amino)phenyl]acetamide

SMILES

CC(Nc(cc1)ccc1Nc(n1c2nc3c1cccc3)c(CCCC1)c1c2C#N)=O

InChI

InChI=1S/C24H21N5O/c1-15(30)26-16-10-12-17(13-11-16)27-23-19-7-3-2-6-18(19)20(14-25)24-28-21-8-4-5-9-22(21)29(23)24/h4-5,8-13,27H,2-3,6-7H2,1H3,(H,26,30)

InChI Key

TXRKAYIFYHQREK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02366926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.308

Distribution Coefficient, logD

4.308

Water Solubility, LogSw

-4.27

Polar Surface Area

58.852

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

4708-0248 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4708-0248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4708-0248?
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What is the minimum amount of 4708-0248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4708-0248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4708-0248
  • 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 4708-0248 available by request