E737-0078 Screening compound: 5,8-dimethyl-1-(3-methylbutyl)-3-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0078 Screening compound: 5,8-dimethyl-1-(3-methylbutyl)-3-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0078 Screening compound: 5,8-dimethyl-1-(3-methylbutyl)-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 E737-0078
5,8-dimethyl-1-(3-methylbutyl)-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

E737-0078

Molecular Formula

C24H27N3O2 (C24 H27 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(c1c(C(N2c3ccc(C)cc3)=O)n(C)c3c1cc(C)cc3)C2=O

InChI

InChI=1S/C24H27N3O2/c1-15(2)12-13-26-21-19-14-17(4)8-11-20(19)25(5)22(21)23(28)27(24(26)29)18-9-6-16(3)7-10-18/h6-11,14-15H,12-13H2,1-5H3

InChI Key

UHVIMJKDVVJFHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.5

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

5.192

Distribution Coefficient, logD

5.192

Water Solubility, LogSw

-5.03

Polar Surface Area

33.986

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E737-0078 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

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 E737-0078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0078?
Check Price and Availability of E737-0078, 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 E737-0078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0078
  • 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 E737-0078 available by request