8015-6417 Screening compound: methyl 4-(furan-2-amido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8015-6417 Screening compound: methyl 4-(furan-2-amido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8015-6417 Screening compound: methyl 4-(furan-2-amido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-6417
methyl 4-(furan-2-amido)-2-methyl-5-oxo-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

8015-6417

Molecular Formula

C13H11F3N2O5 (C13 H11 F3 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(C1(C(F)(F)F)NC(c2ccco2)=O)=O)=C1C(OC)=O

InChI

InChI=1S/C13H11F3N2O5/c1-6-8(10(20)22-2)12(11(21)17-6,13(14,15)16)18-9(19)7-4-3-5-23-7/h3-5H,1-2H3,(H,17,21)(H,18,19)/t12-/m0/s1

InChI Key

IOAKQEYUCSKHLT-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05257287

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.24

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

1.152

Distribution Coefficient, logD

-1.447

Water Solubility, LogSw

-1.66

Polar Surface Area

79.651

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.80

8015-6417 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8015-6417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-6417?
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What is the minimum amount of 8015-6417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-6417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-6417
  • 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 8015-6417 available by request