6872-4277 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

6872-4277 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione
6872-4277 Screening compound: 2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 6872-4277
2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

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

6872-4277

Molecular Formula

C27H26N2O3S (C27 H26 N2 O3 S)

Compound Name

2-(4,5-dimethyl-1,3-thiazol-2-yl)-6,7-dimethyl-1-[4-(propan-2-yl)phenyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrole-3,9-dione

IUPAC name

2-(45-dimethyl-13-thiazol-2-yl)-67-dimethyl-1-[4-(propan-2-yl)phenyl]-1H2H3H9H-chromeno[23-c]pyrrole-39-dione

SMILES

CC(C)c1ccc(C(C2=C(C3=O)Oc(cc(C)c(C)c4)c4C2=O)N3c2nc(C)c(C)s2)cc1

InChI

InChI=1S/C27H26N2O3S/c1-13(2)18-7-9-19(10-8-18)23-22-24(30)20-11-14(3)15(4)12-21(20)32-25(22)26(31)29(23)27-28-16(5)17(6)33-27/h7-13,23H,1-6H3/t23-/m1/s1

InChI Key

USNMXEKAKBIQRN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD06651177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.847

Distribution Coefficient, logD

6.847

Water Solubility, LogSw

-5.79

Polar Surface Area

46.519

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.60

6872-4277 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with 6872-4277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6872-4277?
Check Price and Availability of 6872-4277, 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 6872-4277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6872-4277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6872-4277
  • 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 6872-4277 available by request