8018-5542 Screening compound: 3-{8,9-dimethoxy-1H,2H,3H,4H,4aH,6H,10bH-benzo[c]chromen-6-yl}-9-methyl-9H-carbazole

8018-5542 Screening compound: 3-{8,9-dimethoxy-1H,2H,3H,4H,4aH,6H,10bH-benzo[c]chromen-6-yl}-9-methyl-9H-carbazole
8018-5542 Screening compound: 3-{8,9-dimethoxy-1H,2H,3H,4H,4aH,6H,10bH-benzo[c]chromen-6-yl}-9-methyl-9H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5542
3-{8,9-dimethoxy-1H,2H,3H,4H,4aH,6H,10bH-benzo[c]chromen-6-yl}-9-methyl-9H-carbazole

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

8018-5542

Molecular Formula

C28H29NO3 (C28 H29 NO3)

Compound Name

3-{8,9-dimethoxy-1H,2H,3H,4H,4aH,6H,10bH-benzo[c]chromen-6-yl}-9-methyl-9H-carbazole

IUPAC name

3-{89-dimethoxy-1H2H3H4H4aH6H10bH-benzo[c]chromen-6-yl}-9-methyl-9H-carbazole

SMILES

Cn1c(ccc(C2OC(CCCC3)C3c(cc3OC)c2cc3OC)c2)c2c2c1cccc2

InChI

InChI=1S/C28H29NO3/c1-29-23-10-6-4-8-18(23)21-14-17(12-13-24(21)29)28-22-16-27(31-3)26(30-2)15-20(22)19-9-5-7-11-25(19)32-28/h4,6,8,10,12-16,19,25,28H,5,7,9,11H2,1-3H3

InChI Key

DWQSSIFTRHQFQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.822

Distribution Coefficient, logD

5.822

Water Solubility, LogSw

-5.72

Polar Surface Area

24.845

Acid Dissociation Constant (pKa)

21.47

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

35.70

8018-5542 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-5542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5542?
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What is the minimum amount of 8018-5542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5542
  • 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 8018-5542 available by request