6031-1952 Screening compound: 12-(4-hydroxyphenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

6031-1952 Screening compound: 12-(4-hydroxyphenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one
6031-1952 Screening compound: 12-(4-hydroxyphenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6031-1952
12-(4-hydroxyphenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-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

6031-1952

Molecular Formula

C23H19NO2 (C23 H19 NO2)

Compound Name

12-(4-hydroxyphenyl)-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

IUPAC name

12-(4-hydroxyphenyl)-1234512-hexahydro-5-azatetraphen-1-one

SMILES

Oc1ccc(C2C(C(CCC3)=O)=C3Nc3c2c2ccccc2cc3)cc1

InChI

InChI=1S/C23H19NO2/c25-16-11-8-15(9-12-16)21-22-17-5-2-1-4-14(17)10-13-19(22)24-18-6-3-7-20(26)23(18)21/h1-2,4-5,8-13,21,24-25H,3,6-7H2/t21-/m0/s1

InChI Key

KHSPGRPNJIGVDT-NRFANRHFSA-N

MDL Number (MFCD)

MFCD05240856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.522

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-4.80

Polar Surface Area

41.615

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

6031-1952 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6031-1952 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6031-1952?
Check Price and Availability of 6031-1952, 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 6031-1952 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6031-1952
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6031-1952
  • 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 6031-1952 available by request