1070-0056 Screening compound: 6-methyl-10-[(4-methylbenzoyl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl 4-methylbenzoate

1070-0056 Screening compound: 6-methyl-10-[(4-methylbenzoyl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl 4-methylbenzoate
1070-0056 Screening compound: 6-methyl-10-[(4-methylbenzoyl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1070-0056
6-methyl-10-[(4-methylbenzoyl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl 4-methylbenzoate

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

1070-0056

Molecular Formula

C33H29NO4 (C33 H29 NO4)

Compound Name

6-methyl-10-[(4-methylbenzoyl)oxy]-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-yl 4-methylbenzoate

IUPAC name

10-methyl-4-(4-methylbenzoyloxy)-10-azatetracyclo[7.7.1.0^{27}.0^{1317}]heptadeca-1(16)2(7)3513(17)14-hexaen-3-yl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(Oc1ccc(CC2N(C)CCc3cccc-4c23)c4c1OC(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C33H29NO4/c1-20-7-11-23(12-8-20)32(35)37-28-16-15-25-19-27-29-22(17-18-34(27)3)5-4-6-26(29)30(25)31(28)38-33(36)24-13-9-21(2)10-14-24/h4-16,27H,17-19H2,1-3H3/t27-/m1/s1

InChI Key

MPXVMWCGUBXTFN-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD00994306

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.349

Distribution Coefficient, logD

5.754

Water Solubility, LogSw

-5.60

Polar Surface Area

43.806

Acid Dissociation Constant (pKa)

23.72

Base Dissociation Constant (pKb)

7.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.20

1070-0056 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1070-0056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1070-0056?
Check Price and Availability of 1070-0056, 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 1070-0056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1070-0056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1070-0056
  • 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 1070-0056 available by request