E737-0035 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0035 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0035 Screening compound: 1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0035
1-[(2,5-dimethylphenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-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

E737-0035

Molecular Formula

C28H27N3O2 (C28 H27 N3 O2)

Compound Name

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

IUPAC name

1-[(25-dimethylphenyl)methyl]-58-dimethyl-3-(4-methylphenyl)-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc(cc1)ccc1N(C(c(n(C)c1c2cc(C)cc1)c2N1Cc2c(C)ccc(C)c2)=O)C1=O

InChI

InChI=1S/C28H27N3O2/c1-17-7-11-22(12-8-17)31-27(32)26-25(23-15-19(3)9-13-24(23)29(26)5)30(28(31)33)16-21-14-18(2)6-10-20(21)4/h6-15H,16H2,1-5H3

InChI Key

IPPYPMHAOFKQQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913939

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.262

Distribution Coefficient, logD

6.262

Water Solubility, LogSw

-5.39

Polar Surface Area

33.736

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E737-0035 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with E737-0035 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0035?
Check Price and Availability of E737-0035, 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 E737-0035 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0035
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0035
  • 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 E737-0035 available by request