E737-0560 Screening compound: 3-benzyl-1-[(2-fluorophenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0560 Screening compound: 3-benzyl-1-[(2-fluorophenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0560 Screening compound: 3-benzyl-1-[(2-fluorophenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0560
3-benzyl-1-[(2-fluorophenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

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

E737-0560

Molecular Formula

C26H22FN3O2 (C26 H22 FN3 O2)

Compound Name

3-benzyl-1-[(2-fluorophenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

3-benzyl-1-[(2-fluorophenyl)methyl]-58-dimethyl-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc(cc1)cc2c1n(C)c(C(N1Cc3ccccc3)=O)c2N(Cc(cccc2)c2F)C1=O

InChI

InChI=1S/C26H22FN3O2/c1-17-12-13-22-20(14-17)23-24(28(22)2)25(31)30(15-18-8-4-3-5-9-18)26(32)29(23)16-19-10-6-7-11-21(19)27/h3-14H,15-16H2,1-2H3

InChI Key

ZBZZXTOXHGPARI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.654

Distribution Coefficient, logD

5.654

Water Solubility, LogSw

-5.48

Polar Surface Area

34.347

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E737-0560 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E737-0560 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0560?
Check Price and Availability of E737-0560, 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 E737-0560 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0560
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0560
  • 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 E737-0560 available by request