E737-0610 Screening compound: 3-benzyl-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0610 Screening compound: 3-benzyl-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0610 Screening compound: 3-benzyl-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0610
3-benzyl-5,8-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-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

E737-0610

Molecular Formula

C27H22F3N3O2 (C27 H22 F3 N3 O2)

Compound Name

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

IUPAC name

3-benzyl-58-dimethyl-1-{[3-(trifluoromethyl)phenyl]methyl}-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc(cc1)cc2c1n(C)c(C(N1Cc3ccccc3)=O)c2N(Cc2cccc(C(F)(F)F)c2)C1=O

InChI

InChI=1S/C27H22F3N3O2/c1-17-11-12-22-21(13-17)23-24(31(22)2)25(34)33(15-18-7-4-3-5-8-18)26(35)32(23)16-19-9-6-10-20(14-19)27(28,29)30/h3-14H,15-16H2,1-2H3

InChI Key

ZIYGZSSTCSPALL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.271

Distribution Coefficient, logD

6.271

Water Solubility, LogSw

-5.72

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

18.50

E737-0610 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

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

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E737-0610 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0610?
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What is the minimum amount of E737-0610 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0610
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0610
  • 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 E737-0610 available by request