8602-0351 Screening compound: methyl 4-(4-tert-butylbenzamido)-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8602-0351 Screening compound: methyl 4-(4-tert-butylbenzamido)-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8602-0351 Screening compound: methyl 4-(4-tert-butylbenzamido)-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0351
methyl 4-(4-tert-butylbenzamido)-1-cyclohexyl-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

8602-0351

Molecular Formula

C25H31F3N2O4 (C25 H31 F3 N2 O4)

Compound Name

methyl 4-(4-tert-butylbenzamido)-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

IUPAC name

methyl 4-(4-tert-butylbenzamido)-1-cyclohexyl-2-methyl-5-oxo-4-(trifluoromethyl)-45-dihydro-1H-pyrrole-3-carboxylate

SMILES

CC(C)(C)c(cc1)ccc1C(NC(C(F)(F)F)(C(C(OC)=O)=C(C)N1C2CCCCC2)C1=O)=O

InChI

InChI=1S/C25H31F3N2O4/c1-15-19(21(32)34-5)24(25(26,27)28,22(33)30(15)18-9-7-6-8-10-18)29-20(31)16-11-13-17(14-12-16)23(2,3)4/h11-14,18H,6-10H2,1-5H3,(H,29,31)/t24-/m0/s1

InChI Key

MHQUWJUJUHREKQ-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD06177110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.478

Distribution Coefficient, logD

1.629

Water Solubility, LogSw

-5.34

Polar Surface Area

61.369

Acid Dissociation Constant (pKa)

3.55

Base Dissociation Constant (pKb)

-2.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.00

8602-0351 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 8602-0351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0351?
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What is the minimum amount of 8602-0351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0351
  • 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 8602-0351 available by request