8016-7068 Screening compound: 4-(1,2-dimethyl-1H-indol-3-yl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione

8016-7068 Screening compound: 4-(1,2-dimethyl-1H-indol-3-yl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione
8016-7068 Screening compound: 4-(1,2-dimethyl-1H-indol-3-yl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7068
4-(1,2-dimethyl-1H-indol-3-yl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione

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

8016-7068

Molecular Formula

C23H20N2O3 (C23 H20 N2 O3)

Compound Name

4-(1,2-dimethyl-1H-indol-3-yl)-6-methyl-4,6-dihydro-2H-pyrano[3,2-c]quinoline-2,5(3H)-dione

IUPAC name

4-(12-dimethyl-1H-indol-3-yl)-6-methyl-2H3H4H5H6H-pyrano[32-c]quinoline-25-dione

SMILES

Cc1c(C(C2)C(C(N(C)c3c4cccc3)=O)=C4OC2=O)c(cccc2)c2n1C

InChI

InChI=1S/C23H20N2O3/c1-13-20(14-8-4-6-10-17(14)24(13)2)16-12-19(26)28-22-15-9-5-7-11-18(15)25(3)23(27)21(16)22/h4-11,16H,12H2,1-3H3/t16-/m0/s1

InChI Key

SOKJAAQVAQRMMG-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05858499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-3.52

Polar Surface Area

38.280

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.74

8016-7068 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 8016-7068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7068?
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What is the minimum amount of 8016-7068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7068
  • 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 8016-7068 available by request