8015-2987 Screening compound: methyl 4-{6,8-dichloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

8015-2987 Screening compound: methyl 4-{6,8-dichloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate
8015-2987 Screening compound: methyl 4-{6,8-dichloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-2987
methyl 4-{6,8-dichloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

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

8015-2987

Molecular Formula

C20H17Cl2NO2 (C20 H17 Cl2 NO2)

Compound Name

methyl 4-{6,8-dichloro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

IUPAC name

methyl 4-[(3aS4R9bR)-68-dichloro-3H3aH4H5H9bH-cyclopenta[c]quinolin-4-yl]benzoate

SMILES

COC(c1ccc([C@H]([C@H](CC=C2)[C@H]2c2cc(Cl)c3)Nc2c3Cl)cc1)=O

InChI

InChI=1S/C20H17Cl2NO2/c1-25-20(24)12-7-5-11(6-8-12)18-15-4-2-3-14(15)16-9-13(21)10-17(22)19(16)23-18/h2-3,5-10,14-15,18,23H,4H2,1H3/t14-,15+,18-/m1/s1

InChI Key

UWZOPSMBFFMFKH-RVKKMQEKSA-N

MDL Number (MFCD)

MFCD02316398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.27

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.641

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-6.10

Polar Surface Area

31.243

Acid Dissociation Constant (pKa)

16.01

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

8015-2987 in Drug Discovery

Included in Screening Libraries

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 8015-2987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-2987?
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What is the minimum amount of 8015-2987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-2987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-2987
  • 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 8015-2987 available by request