7591-0941 Screening compound: methyl 1-benzyl-2-methyl-5-oxo-4-(3-phenylpropanamido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

7591-0941 Screening compound: methyl 1-benzyl-2-methyl-5-oxo-4-(3-phenylpropanamido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
7591-0941 Screening compound: methyl 1-benzyl-2-methyl-5-oxo-4-(3-phenylpropanamido)-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0941
methyl 1-benzyl-2-methyl-5-oxo-4-(3-phenylpropanamido)-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

7591-0941

Molecular Formula

C24H23F3N2O4 (C24 H23 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(N(Cc1ccccc1)C(C1(C(F)(F)F)NC(CCc2ccccc2)=O)=O)=C1C(OC)=O

InChI

InChI=1S/C24H23F3N2O4/c1-16-20(21(31)33-2)23(24(25,26)27,22(32)29(16)15-18-11-7-4-8-12-18)28-19(30)14-13-17-9-5-3-6-10-17/h3-12H,13-15H2,1-2H3,(H,28,30)/t23-/m0/s1

InChI Key

LTWRCCMFRBKIEA-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD06002237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.028

Distribution Coefficient, logD

1.182

Water Solubility, LogSw

-4.25

Polar Surface Area

61.934

Acid Dissociation Constant (pKa)

4.55

Base Dissociation Constant (pKb)

-5.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

7591-0941 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7591-0941 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0941?
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What is the minimum amount of 7591-0941 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0941
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0941
  • 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 7591-0941 available by request