8017-2982 Screening compound: 3-[({4-[4-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl}carbonyl)amino]propanoic acid

8017-2982 Screening compound: 3-[({4-[4-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl}carbonyl)amino]propanoic acid
8017-2982 Screening compound: 3-[({4-[4-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl}carbonyl)amino]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2982
3-[({4-[4-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl}carbonyl)amino]propanoic acid

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

8017-2982

Molecular Formula

C23H21F3N2O3 (C23 H21 F3 N2 O3)

Compound Name

3-[({4-[4-(trifluoromethyl)phenyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl}carbonyl)amino]propanoic acid

IUPAC name

3-({4-[4-(trifluoromethyl)phenyl]-3H3aH4H5H9bH-cyclopenta[c]quinolin-8-yl}formamido)propanoic acid

SMILES

OC(CCNC(c(cc1)cc(C2C=CCC22)c1NC2c1ccc(C(F)(F)F)cc1)=O)=O

InChI

InChI=1S/C23H21F3N2O3/c24-23(25,26)15-7-4-13(5-8-15)21-17-3-1-2-16(17)18-12-14(6-9-19(18)28-21)22(31)27-11-10-20(29)30/h1-2,4-9,12,16-17,21,28H,3,10-11H2,(H,27,31)(H,29,30)

InChI Key

KMFHFGWWJSQPCT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.825

Distribution Coefficient, logD

1.130

Water Solubility, LogSw

-4.14

Polar Surface Area

65.232

Acid Dissociation Constant (pKa)

4.71

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

30.43

8017-2982 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Arginase Targeted Library (2009 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8017-2982 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2982?
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What is the minimum amount of 8017-2982 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2982
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2982
  • 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 8017-2982 available by request