E737-0810 Screening compound: 3-(5-chloro-2-methylphenyl)-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0810 Screening compound: 3-(5-chloro-2-methylphenyl)-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0810 Screening compound: 3-(5-chloro-2-methylphenyl)-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0810
3-(5-chloro-2-methylphenyl)-1-[(2,5-dimethylphenyl)methyl]-8-methoxy-5-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

E737-0810

Molecular Formula

C28H26ClN3O3 (C28 H26 ClN3 O3)

Compound Name

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

IUPAC name

3-(5-chloro-2-methylphenyl)-1-[(25-dimethylphenyl)methyl]-8-methoxy-5-methyl-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc1cc(CN(c2c(C(N3c4c(C)ccc(Cl)c4)=O)n(C)c(cc4)c2cc4OC)C3=O)c(C)cc1

InChI

InChI=1S/C28H26ClN3O3/c1-16-6-7-17(2)19(12-16)15-31-25-22-14-21(35-5)10-11-23(22)30(4)26(25)27(33)32(28(31)34)24-13-20(29)9-8-18(24)3/h6-14H,15H2,1-5H3

InChI Key

IEFFGGCUAVDQHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914181

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.99

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.687

Distribution Coefficient, logD

6.687

Water Solubility, LogSw

-6.21

Polar Surface Area

40.979

Acid Dissociation Constant (pKa)

27.51

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

E737-0810 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 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 E737-0810 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0810?
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What is the minimum amount of E737-0810 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0810
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0810
  • 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 E737-0810 available by request