L226-0379 Screening compound: 1-[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-propanone

L226-0379 Screening compound: 1-[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-propanone
L226-0379 Screening compound: 1-[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L226-0379
1-[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-propanone

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

L226-0379

Molecular Formula

C23H24N2OS (C23 H24 N2 OS)

Compound Name

1-[4-phenyl-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-propanone

IUPAC name

1-{7-phenyl-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraen-8-yl}propan-1-one

SMILES

CCC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c1ccccc1)=O

InChI

InChI=1S/C23H24N2OS/c1-2-21(26)25-15-18-17-11-6-7-13-20(17)27-23(18)24-14-8-12-19(24)22(25)16-9-4-3-5-10-16/h3-5,8-10,12,14,22H,2,6-7,11,13,15H2,1H3/t22-/m0/s1

InChI Key

QGEJABARUGNZSW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27236418

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.52

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.742

Distribution Coefficient, logD

5.742

Water Solubility, LogSw

-5.34

Polar Surface Area

17.867

Acid Dissociation Constant (pKa)

22.94

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

L226-0379 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L226-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L226-0379?
Check Price and Availability of L226-0379, 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 L226-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L226-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L226-0379
  • 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 L226-0379 available by request