1889-2802 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 2,3,3-triphenylpropanoate

1889-2802 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 2,3,3-triphenylpropanoate
1889-2802 Screening compound: 6-oxo-6H-benzo[c]chromen-3-yl 2,3,3-triphenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1889-2802
6-oxo-6H-benzo[c]chromen-3-yl 2,3,3-triphenylpropanoate

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

1889-2802

Molecular Formula

C34H24O4 (C34 H24 O4)

Compound Name

6-oxo-6H-benzo[c]chromen-3-yl 2,3,3-triphenylpropanoate

IUPAC name

6-oxo-6H-benzo[c]chromen-3-yl 233-triphenylpropanoate

SMILES

O=C(C(C(c1ccccc1)c1ccccc1)c1ccccc1)Oc(cc1)cc(O2)c1-c(cccc1)c1C2=O

InChI

InChI=1S/C34H24O4/c35-33-29-19-11-10-18-27(29)28-21-20-26(22-30(28)38-33)37-34(36)32(25-16-8-3-9-17-25)31(23-12-4-1-5-13-23)24-14-6-2-7-15-24/h1-22,31-32H/t32-/m0/s1

InChI Key

DJWLAYJZSMAGQA-YTTGMZPUSA-N

MDL Number (MFCD)

MFCD01071493

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.171

Distribution Coefficient, logD

7.171

Water Solubility, LogSw

-6.44

Polar Surface Area

40.723

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

5.88

1889-2802 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Frequent Hitters Library (7624 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Structure:
  • Pool
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 1889-2802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1889-2802?
Check Price and Availability of 1889-2802, 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 1889-2802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1889-2802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1889-2802
  • 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 1889-2802 available by request