8015-3506 Screening compound: methyl 2-methyl-5-oxo-4-(pyridine-3-amido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8015-3506 Screening compound: methyl 2-methyl-5-oxo-4-(pyridine-3-amido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8015-3506 Screening compound: methyl 2-methyl-5-oxo-4-(pyridine-3-amido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3506
methyl 2-methyl-5-oxo-4-(pyridine-3-amido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

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

8015-3506

Molecular Formula

C14H12F3N3O4 (C14 H12 F3 N3 O4)

Compound Name

methyl 2-methyl-5-oxo-4-(pyridine-3-amido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl 2-methyl-5-oxo-4-(pyridine-3-amido)-4-(trifluoromethyl)-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(NC(C1(C(F)(F)F)NC(c2cnccc2)=O)=O)=C1C(OC)=O

InChI

InChI=1S/C14H12F3N3O4/c1-7-9(11(22)24-2)13(12(23)19-7,14(15,16)17)20-10(21)8-4-3-5-18-6-8/h3-6H,1-2H3,(H,19,23)(H,20,21)/t13-/m0/s1

InChI Key

OVBYGNQNXGVOEH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04060872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.691

Distribution Coefficient, logD

-2.696

Water Solubility, LogSw

-1.08

Polar Surface Area

80.590

Acid Dissociation Constant (pKa)

4.01

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

8015-3506 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8015-3506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3506?
Check Price and Availability of 8015-3506, 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 8015-3506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3506
  • 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 8015-3506 available by request