8012-7030 Screening compound: 1,2,3-trimethyl-8-(trifluoromethyl)-1,5-dihydro-6H-pyrrolo[2,3-g]quinolin-6-one

8012-7030 Screening compound: 1,2,3-trimethyl-8-(trifluoromethyl)-1,5-dihydro-6H-pyrrolo[2,3-g]quinolin-6-one
8012-7030 Screening compound: 1,2,3-trimethyl-8-(trifluoromethyl)-1,5-dihydro-6H-pyrrolo[2,3-g]quinolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7030
1,2,3-trimethyl-8-(trifluoromethyl)-1,5-dihydro-6H-pyrrolo[2,3-g]quinolin-6-one

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

8012-7030

Molecular Formula

C15H13F3N2O (C15 H13 F3 N2 O)

Compound Name

1,2,3-trimethyl-8-(trifluoromethyl)-1,5-dihydro-6H-pyrrolo[2,3-g]quinolin-6-one

IUPAC name

123-trimethyl-8-(trifluoromethyl)-1H5H6H-pyrrolo[23-g]quinolin-6-one

SMILES

Cc(c1c2)c(C)n(C)c1cc(C(C(F)(F)F)=C1)c2NC1=O

InChI

InChI=1S/C15H13F3N2O/c1-7-8(2)20(3)13-5-10-11(15(16,17)18)6-14(21)19-12(10)4-9(7)13/h4-6H,1-3H3,(H,19,21)

InChI Key

OFXQREMYPSIDPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03034806

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

294.28

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.730

Water Solubility, LogSw

-3.29

Polar Surface Area

27.341

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

8012-7030 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7030?
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What is the minimum amount of 8012-7030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7030
  • 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 8012-7030 available by request