L226-1003 Screening compound: [4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl](3-pyridyl)methanone

L226-1003 Screening compound: [4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl](3-pyridyl)methanone
L226-1003 Screening compound: [4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl](3-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound L226-1003
[4-(3-methylphenyl)-7,8,9,10-tetrahydro-4H-[1]benzothieno[3,2-f]pyrrolo[1,2-a][1,4]diazepin-5(6H)-yl](3-pyridyl)methanone

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

L226-1003

Molecular Formula

C27H25N3OS (C27 H25 N3 OS)

Compound Name

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

IUPAC name

7-(3-methylphenyl)-8-(pyridine-3-carbonyl)-17-thia-28-diazatetracyclo[8.7.0.0^{26}.0^{1116}]heptadeca-1(10)3511(16)-tetraene

SMILES

Cc1cccc(C(c2cccn2-c2c(C3)c(CCCC4)c4s2)N3C(c2cnccc2)=O)c1

InChI

InChI=1S/C27H25N3OS/c1-18-7-4-8-19(15-18)25-23-11-6-14-29(23)27-22(21-10-2-3-12-24(21)32-27)17-30(25)26(31)20-9-5-13-28-16-20/h4-9,11,13-16,25H,2-3,10,12,17H2,1H3/t25-/m0/s1

InChI Key

AKSDPKXRYXQYMV-VWLOTQADSA-N

MDL Number (MFCD)

MFCD15120467

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.946

Distribution Coefficient, logD

5.946

Water Solubility, LogSw

-5.16

Polar Surface Area

27.640

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

3.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

L226-1003 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L226-1003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L226-1003?
Check Price and Availability of L226-1003, 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 L226-1003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L226-1003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L226-1003
  • 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 L226-1003 available by request