1657-0151 Screening compound: 4-(4-isopropylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione

1657-0151 Screening compound: 4-(4-isopropylphenyl)-1,7,8,9-tetraphenyl-4-azatricyclo[5.2.1.0~2,6~]dec-8-ene-3,5,10-trione
1657-0151 Screening compound: 4-(4-isopropylphenyl)-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 1657-0151
4-(4-isopropylphenyl)-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

1657-0151

Molecular Formula

C42H33NO3 (C42 H33 NO3)

Compound Name

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

IUPAC name

1789-tetraphenyl-4-[4-(propan-2-yl)phenyl]-4-azatricyclo[5.2.1.0^{26}]dec-8-ene-3510-trione

SMILES

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

InChI

InChI=1S/C42H33NO3/c1-27(2)28-23-25-33(26-24-28)43-38(44)36-37(39(43)45)42(32-21-13-6-14-22-32)35(30-17-9-4-10-18-30)34(29-15-7-3-8-16-29)41(36,40(42)46)31-19-11-5-12-20-31/h3-27,36-37H,1-2H3

InChI Key

XPSBDVQXEVEPSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01070551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

599.73

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

8.088

Distribution Coefficient, logD

8.085

Water Solubility, LogSw

-5.99

Polar Surface Area

41.785

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-9.70

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 1657-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1657-0151?
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What is the minimum amount of 1657-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1657-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1657-0151
  • 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 1657-0151 available by request