1657-0150 Screening compound: 4-(4-ethylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

1657-0150 Screening compound: 4-(4-ethylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
1657-0150 Screening compound: 4-(4-ethylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 1657-0150
4-(4-ethylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

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

1657-0150

Molecular Formula

C41H31NO3 (C41 H31 NO3)

Compound Name

4-(4-ethylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

IUPAC name

4-(4-ethylphenyl)-1789-tetraphenyl-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

CCc(cc1)ccc1N(C(C(C1C(C2=O)(C(c3ccccc3)=C3c4ccccc4)c4ccccc4)C23c2ccccc2)=O)C1=O

InChI

InChI=1S/C41H31NO3/c1-2-27-23-25-32(26-24-27)42-37(43)35-36(38(42)44)41(31-21-13-6-14-22-31)34(29-17-9-4-10-18-29)33(28-15-7-3-8-16-28)40(35,39(41)45)30-19-11-5-12-20-30/h3-26,35-36H,2H2,1H3

InChI Key

RHAQFFPMCHAYLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01070550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.7

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.680

Distribution Coefficient, logD

7.677

Water Solubility, LogSw

-5.81

Polar Surface Area

41.785

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-9.08

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

14.60

References: we are preparing a list of scientific research reports with 1657-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1657-0150?
Check Price and Availability of 1657-0150, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1657-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1657-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1657-0150
  • 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 1657-0150 available by request