8602-0145 Screening compound: methyl 1-cyclohexyl-4-(3-cyclohexylpropanamido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate

8602-0145 Screening compound: methyl 1-cyclohexyl-4-(3-cyclohexylpropanamido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
8602-0145 Screening compound: methyl 1-cyclohexyl-4-(3-cyclohexylpropanamido)-2-methyl-5-oxo-4-(trifluoromethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8602-0145
methyl 1-cyclohexyl-4-(3-cyclohexylpropanamido)-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

8602-0145

Molecular Formula

C23H33F3N2O4 (C23 H33 F3 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(N(C1CCCCC1)C(C1(C(F)(F)F)NC(CCC2CCCCC2)=O)=O)=C1C(OC)=O

InChI

InChI=1S/C23H33F3N2O4/c1-15-19(20(30)32-2)22(23(24,25)26,21(31)28(15)17-11-7-4-8-12-17)27-18(29)14-13-16-9-5-3-6-10-16/h16-17H,3-14H2,1-2H3,(H,27,29)/t22-/m0/s1

InChI Key

APLMTXGILAUFRG-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD08098235

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.52

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

4.815

Distribution Coefficient, logD

2.378

Water Solubility, LogSw

-4.55

Polar Surface Area

61.347

Acid Dissociation Constant (pKa)

4.96

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.30

8602-0145 in Drug Discovery

Included in Screening Libraries

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8602-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8602-0145?
Check Price and Availability of 8602-0145, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8602-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8602-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8602-0145
  • 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 8602-0145 available by request