1661-1300 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline

1661-1300 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline
1661-1300 Screening compound: 4-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1661-1300
4-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline

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

1661-1300

Molecular Formula

C30H25NO2 (C30 H25 NO2)

Compound Name

4-[4-(benzyloxy)-3-methoxyphenyl]-2,3-dihydro-1H-benzo[f]cyclopenta[c]quinoline

IUPAC name

12-[4-(benzyloxy)-3-methoxyphenyl]-11-azatetracyclo[8.7.0.0^{27}.0^{1317}]heptadeca-1(10)2(7)3581113(17)-heptaene

SMILES

COc(cc(cc1)-c2nc3ccc(cccc4)c4c3c3c2CCC3)c1OCc1ccccc1

InChI

InChI=1S/C30H25NO2/c1-32-28-18-22(15-17-27(28)33-19-20-8-3-2-4-9-20)30-25-13-7-12-24(25)29-23-11-6-5-10-21(23)14-16-26(29)31-30/h2-6,8-11,14-18H,7,12-13,19H2,1H3

InChI Key

ODFGSEBHONULBP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01030294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.247

Distribution Coefficient, logD

7.228

Water Solubility, LogSw

-7.17

Polar Surface Area

24.028

Acid Dissociation Constant (pKa)

15.56

Base Dissociation Constant (pKb)

6.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

1661-1300 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1661-1300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1661-1300?
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What is the minimum amount of 1661-1300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1661-1300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1661-1300
  • 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 1661-1300 available by request