8602-0382 Screening compound: methyl 2-methyl-4-(3-methylbutanamido)-5-oxo-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8602-0382 Screening compound: methyl 2-methyl-4-(3-methylbutanamido)-5-oxo-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8602-0382 Screening compound: methyl 2-methyl-4-(3-methylbutanamido)-5-oxo-1-propyl-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0382
methyl 2-methyl-4-(3-methylbutanamido)-5-oxo-1-propyl-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

8602-0382

Molecular Formula

C16H23F3N2O4 (C16 H23 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(C)=C(C1(C(F)(F)F)NC(CC(C)C)=O)C(OC)=O)C1=O

InChI

InChI=1S/C16H23F3N2O4/c1-6-7-21-10(4)12(13(23)25-5)15(14(21)24,16(17,18)19)20-11(22)8-9(2)3/h9H,6-8H2,1-5H3,(H,20,22)/t15-/m0/s1

InChI Key

XROSSRCCQNPHFD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD08098335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.637

Distribution Coefficient, logD

0.004

Water Solubility, LogSw

-2.84

Polar Surface Area

62.455

Acid Dissociation Constant (pKa)

4.77

Base Dissociation Constant (pKb)

-3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.80

References: we are preparing a list of scientific research reports with 8602-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0382?
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What is the minimum amount of 8602-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0382
  • 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 8602-0382 available by request