7757-0067 Screening compound: 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-[(1E)-2-(thiophen-2-yl)ethenyl]-5H-indeno[1,2-d]pyrimidin-5-one

7757-0067 Screening compound: 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-[(1E)-2-(thiophen-2-yl)ethenyl]-5H-indeno[1,2-d]pyrimidin-5-one
7757-0067 Screening compound: 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-[(1E)-2-(thiophen-2-yl)ethenyl]-5H-indeno[1,2-d]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7757-0067
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-[(1E)-2-(thiophen-2-yl)ethenyl]-5H-indeno[1,2-d]pyrimidin-5-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

7757-0067

Molecular Formula

C25H17N3O3S (C25 H17 N3 O3 S)

Compound Name

2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-4-[(1E)-2-(thiophen-2-yl)ethenyl]-5H-indeno[1,2-d]pyrimidin-5-one

IUPAC name

2-{[(2H-13-benzodioxol-5-yl)methyl]amino}-4-[(1E)-2-(thiophen-2-yl)ethenyl]-5H-indeno[12-d]pyrimidin-5-one

SMILES

O=C(c1c-2cccc1)c1c2nc(NCc(cc2)cc3c2OCO3)nc1/C=C/c1cccs1

InChI

InChI=1S/C25H17N3O3S/c29-24-18-6-2-1-5-17(18)23-22(24)19(9-8-16-4-3-11-32-16)27-25(28-23)26-13-15-7-10-20-21(12-15)31-14-30-20/h1-12H,13-14H2,(H,26,27,28)

InChI Key

BYJKGWUBGADZHW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06191908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.529

Distribution Coefficient, logD

5.529

Water Solubility, LogSw

-5.84

Polar Surface Area

63.329

Acid Dissociation Constant (pKa)

17.37

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.00

7757-0067 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7757-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7757-0067?
Check Price and Availability of 7757-0067, 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 7757-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7757-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7757-0067
  • 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 7757-0067 available by request