6177-0371 Screening compound: 4-{6-methyl-9-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoic acid

6177-0371 Screening compound: 4-{6-methyl-9-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoic acid
6177-0371 Screening compound: 4-{6-methyl-9-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6177-0371
4-{6-methyl-9-nitro-3H,3aH,4H,5H,9bH-cyclopenta[c]quinolin-4-yl}benzoic acid

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

6177-0371

Molecular Formula

C20H18N2O4 (C20 H18 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H18N2O4/c1-11-5-10-16(22(25)26)17-14-3-2-4-15(14)19(21-18(11)17)12-6-8-13(9-7-12)20(23)24/h2-3,5-10,14-15,19,21H,4H2,1H3,(H,23,24)/t14-,15-,19-/m0/s1

InChI Key

FUCGARSSSYZRAC-DOXZYTNZSA-N

MDL Number (MFCD)

MFCD06850534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

1.546

Water Solubility, LogSw

-4.39

Polar Surface Area

71.558

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-3.30

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

25.00

6177-0371 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 6177-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6177-0371?
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What is the minimum amount of 6177-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6177-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6177-0371
  • 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 6177-0371 available by request