7834-0039 Screening compound: methyl 1-butyl-4-(2-methoxybenzamido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

7834-0039 Screening compound: methyl 1-butyl-4-(2-methoxybenzamido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
7834-0039 Screening compound: methyl 1-butyl-4-(2-methoxybenzamido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7834-0039
methyl 1-butyl-4-(2-methoxybenzamido)-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

7834-0039

Molecular Formula

C20H23F3N2O5 (C20 H23 F3 N2 O5)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C(C)=C(C1(C(F)(F)F)NC(c(cccc2)c2OC)=O)C(OC)=O)C1=O

InChI

InChI=1S/C20H23F3N2O5/c1-5-6-11-25-12(2)15(17(27)30-4)19(18(25)28,20(21,22)23)24-16(26)13-9-7-8-10-14(13)29-3/h7-10H,5-6,11H2,1-4H3,(H,24,26)/t19-/m0/s1

InChI Key

ATEZTCSAKXQZNA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD06005816

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.165

Distribution Coefficient, logD

-1.867

Water Solubility, LogSw

-3.58

Polar Surface Area

70.027

Acid Dissociation Constant (pKa)

2.37

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

7834-0039 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 7834-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7834-0039?
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What is the minimum amount of 7834-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7834-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7834-0039
  • 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 7834-0039 available by request