8015-3515 Screening compound: methyl 2-methyl-5-oxo-4-[(pyridin-2-yl)amino]-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8015-3515 Screening compound: methyl 2-methyl-5-oxo-4-[(pyridin-2-yl)amino]-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8015-3515 Screening compound: methyl 2-methyl-5-oxo-4-[(pyridin-2-yl)amino]-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3515
methyl 2-methyl-5-oxo-4-[(pyridin-2-yl)amino]-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

8015-3515

Molecular Formula

C13H12F3N3O3 (C13 H12 F3 N3 O3)

Compound Name

methyl 2-methyl-5-oxo-4-[(pyridin-2-yl)amino]-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl 2-methyl-5-oxo-4-[(pyridin-2-yl)amino]-4-(trifluoromethyl)-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(NC(C1(C(F)(F)F)Nc2ncccc2)=O)=C1C(OC)=O

InChI

InChI=1S/C13H12F3N3O3/c1-7-9(10(20)22-2)12(11(21)18-7,13(14,15)16)19-8-5-3-4-6-17-8/h3-6H,1-2H3,(H,17,19)(H,18,21)/t12-/m0/s1

InChI Key

PRUTUKJEANDINO-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD04060881

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.993

Distribution Coefficient, logD

0.640

Water Solubility, LogSw

-2.37

Polar Surface Area

66.509

Acid Dissociation Constant (pKa)

6.07

Base Dissociation Constant (pKb)

3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8015-3515 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-3515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3515?
Check Price and Availability of 8015-3515, 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 8015-3515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3515
  • 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 8015-3515 available by request