D033-0049 Screening compound: 2-amino-3-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]indolizine-1-carboxamide

D033-0049 Screening compound: 2-amino-3-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]indolizine-1-carboxamide
D033-0049 Screening compound: 2-amino-3-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]indolizine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D033-0049
2-amino-3-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]indolizine-1-carboxamide

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

D033-0049

Molecular Formula

C24H18F3N3O2 (C24 H18 F3 N3 O2)

Compound Name

2-amino-3-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]indolizine-1-carboxamide

IUPAC name

2-amino-3-(4-methylbenzoyl)-N-[3-(trifluoromethyl)phenyl]indolizine-1-carboxamide

SMILES

Cc(cc1)ccc1C(c(n(cccc1)c1c1C(Nc2cccc(C(F)(F)F)c2)=O)c1N)=O

InChI

InChI=1S/C24H18F3N3O2/c1-14-8-10-15(11-9-14)22(31)21-20(28)19(18-7-2-3-12-30(18)21)23(32)29-17-6-4-5-16(13-17)24(25,26)27/h2-13H,28H2,1H3,(H,29,32)

InChI Key

LQXMFIJCDCJSIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07647740

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.218

Distribution Coefficient, logD

5.218

Water Solubility, LogSw

-5.18

Polar Surface Area

54.641

Acid Dissociation Constant (pKa)

10.54

Base Dissociation Constant (pKb)

3.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

D033-0049 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D033-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D033-0049?
Check Price and Availability of D033-0049, 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 D033-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D033-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D033-0049
  • 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 D033-0049 available by request