0099-0339 Screening compound: 9-(2-carboxyphenyl)-1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium

0099-0339 Screening compound: 9-(2-carboxyphenyl)-1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium
0099-0339 Screening compound: 9-(2-carboxyphenyl)-1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound 0099-0339
9-(2-carboxyphenyl)-1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium

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

0099-0339

Molecular Formula

C32H31N2O3 (C32 H31 N2 O3)

Compound Name

9-(2-carboxyphenyl)-1H,2H,3H,5H,6H,7H,11H,12H,13H,15H,16H,17H-pyrido[3,2,1-ij]quinolizino[1',9':6,7,8]chromeno[2,3-f]quinolin-4-ium

IUPAC name

16-(2-carboxyphenyl)-3-oxa-9lambda523-diazaheptacyclo[17.7.1.1^{59}.0^{217}.0^{415}.0^{2327}.0^{1328}]octacosa-1(27)2(17)49(28)131518-heptaen-9-ylium

SMILES

OC(c(cccc1)c1C(c(cc1c2c3CCCN2CCC1)c3O1)=C(C=C2CCC3)C1=C1C2=[N+]3CCC1)=O

InChI

InChI=1S/C32H30N2O3/c35-32(36)22-10-2-1-9-21(22)27-25-17-19-7-3-13-33-15-5-11-23(28(19)33)30(25)37-31-24-12-6-16-34-14-4-8-20(29(24)34)18-26(27)31/h1-2,9-10,17-18H,3-8,11-16H2/p+1

InChI Key

MUSLHCJRTRQOSP-UHFFFAOYSA-O

MDL Number (MFCD)

MFCD00982156

Chemical and Physical Properties

Saltdata

ClO4-

Molecular Weight

491.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.539

Distribution Coefficient, logD

-0.180

Water Solubility, LogSw

-5.59

Polar Surface Area

42.718

Acid Dissociation Constant (pKa)

1.68

Base Dissociation Constant (pKb)

6.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

0099-0339 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0099-0339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0099-0339?
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What is the minimum amount of 0099-0339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0099-0339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0099-0339
  • 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 0099-0339 available by request