3118-0078 Screening compound: 3-(4-methoxyphenyl)-2-(9-methyl-9H-carbazol-3-yl)-1,2,3,4-tetrahydroquinazolin-4-one

3118-0078 Screening compound: 3-(4-methoxyphenyl)-2-(9-methyl-9H-carbazol-3-yl)-1,2,3,4-tetrahydroquinazolin-4-one
3118-0078 Screening compound: 3-(4-methoxyphenyl)-2-(9-methyl-9H-carbazol-3-yl)-1,2,3,4-tetrahydroquinazolin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3118-0078
3-(4-methoxyphenyl)-2-(9-methyl-9H-carbazol-3-yl)-1,2,3,4-tetrahydroquinazolin-4-one

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

3118-0078

Molecular Formula

C28H23N3O2 (C28 H23 N3 O2)

Compound Name

3-(4-methoxyphenyl)-2-(9-methyl-9H-carbazol-3-yl)-1,2,3,4-tetrahydroquinazolin-4-one

IUPAC name

3-(4-methoxyphenyl)-2-(9-methyl-9H-carbazol-3-yl)-1234-tetrahydroquinazolin-4-one

SMILES

Cn1c(ccc(C(Nc2c3cccc2)N(c(cc2)ccc2OC)C3=O)c2)c2c2c1cccc2

InChI

InChI=1S/C28H23N3O2/c1-30-25-10-6-4-7-21(25)23-17-18(11-16-26(23)30)27-29-24-9-5-3-8-22(24)28(32)31(27)19-12-14-20(33-2)15-13-19/h3-17,27,29H,1-2H3/t27-/m0/s1

InChI Key

CHALOZHLJVOAIS-MHZLTWQESA-N

MDL Number (MFCD)

MFCD01954910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.706

Distribution Coefficient, logD

5.706

Water Solubility, LogSw

-5.83

Polar Surface Area

36.060

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

-1.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

3118-0078 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

DGK Inhibitors Library (10558 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
Targets:
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3118-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3118-0078?
Check Price and Availability of 3118-0078, 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 3118-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3118-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3118-0078
  • 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 3118-0078 available by request