L222-0166 Screening compound: 3-methyl-6-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one

L222-0166 Screening compound: 3-methyl-6-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one
L222-0166 Screening compound: 3-methyl-6-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L222-0166
3-methyl-6-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one

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

L222-0166

Molecular Formula

C27H23N3O4S (C27 H23 N3 O4 S)

Compound Name

3-methyl-6-{[4-(4-methylphenyl)-4H-pyrrolo[1,2-a][1,4]benzodiazepin-5(6H)-yl]sulfonyl}-1,3-benzoxazol-2(3H)-one

IUPAC name

3-methyl-6-{[7-(4-methylphenyl)-28-diazatricyclo[8.4.0.0^{26}]tetradeca-1(10)351113-pentaen-8-yl]sulfonyl}-23-dihydro-13-benzoxazol-2-one

SMILES

Cc1ccc(C(c2cccn2-c2c(C3)cccc2)N3S(c(cc2)cc(O3)c2N(C)C3=O)(=O)=O)cc1

InChI

InChI=1S/C27H23N3O4S/c1-18-9-11-19(12-10-18)26-24-8-5-15-29(24)22-7-4-3-6-20(22)17-30(26)35(32,33)21-13-14-23-25(16-21)34-27(31)28(23)2/h3-16,26H,17H2,1-2H3/t26-/m1/s1

InChI Key

CBSMZIQDRCWGEL-AREMUKBSSA-N

MDL Number (MFCD)

MFCD15120435

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.323

Distribution Coefficient, logD

5.323

Water Solubility, LogSw

-5.33

Polar Surface Area

56.456

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

-4.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

14.80

L222-0166 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L222-0166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L222-0166?
Check Price and Availability of L222-0166, 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 L222-0166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L222-0166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L222-0166
  • 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 L222-0166 available by request