6177-0389 Screening compound: methyl 4-{6-methyl-9-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate

6177-0389 Screening compound: methyl 4-{6-methyl-9-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate
6177-0389 Screening compound: methyl 4-{6-methyl-9-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-0389
methyl 4-{6-methyl-9-nitro-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

6177-0389

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

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

IUPAC name

methyl 4-[(3aS4R9bR)-6-methyl-9-nitro-3H3aH4H5H9bH-cyclopenta[c]quinolin-4-yl]benzoate

SMILES

Cc(ccc([N+]([O-])=O)c1[C@H]2C=CC[C@H]22)c1N[C@@H]2c(cc1)ccc1C(OC)=O

InChI

InChI=1S/C21H20N2O4/c1-12-6-11-17(23(25)26)18-15-4-3-5-16(15)20(22-19(12)18)13-7-9-14(10-8-13)21(24)27-2/h3-4,6-11,15-16,20,22H,5H2,1-2H3/t15-,16-,20-/m0/s1

InChI Key

YBZYZLVFMPDZHI-FTRWYGJKSA-N

MDL Number (MFCD)

MFCD04086360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.73

Polar Surface Area

64.324

Acid Dissociation Constant (pKa)

16.22

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

28.60

6177-0389 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 6177-0389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-0389?
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What is the minimum amount of 6177-0389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-0389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-0389
  • 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 6177-0389 available by request