L226-0045 Screening compound: 1-[4-(4-chlorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-butanone

L226-0045 Screening compound: 1-[4-(4-chlorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-butanone
L226-0045 Screening compound: 1-[4-(4-chlorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L226-0045
1-[4-(4-chlorophenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl]-1-butanone

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

L226-0045

Molecular Formula

C24H25ClN2OS (C24 H25 ClN2 OS)

Compound Name

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

IUPAC name

1-[7-(4-chlorophenyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraen-8-yl]butan-1-one

SMILES

CCCC(N(Cc1c(-n2c3ccc2)sc2c1CCCC2)C3c(cc1)ccc1Cl)=O

InChI

InChI=1S/C24H25ClN2OS/c1-2-6-22(28)27-15-19-18-7-3-4-9-21(18)29-24(19)26-14-5-8-20(26)23(27)16-10-12-17(25)13-11-16/h5,8,10-14,23H,2-4,6-7,9,15H2,1H3/t23-/m1/s1

InChI Key

KECDKQGAFFVCAT-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD15120450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.99

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.934

Distribution Coefficient, logD

6.934

Water Solubility, LogSw

-6.50

Polar Surface Area

17.867

Acid Dissociation Constant (pKa)

23.29

Base Dissociation Constant (pKb)

-3.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

L226-0045 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L226-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L226-0045?
Check Price and Availability of L226-0045, 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 L226-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L226-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L226-0045
  • 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 L226-0045 available by request