E737-0039 Screening compound: N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide

E737-0039 Screening compound: N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide
E737-0039 Screening compound: N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0039
N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide

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

E737-0039

Molecular Formula

C30H30N4O3 (C30 H30 N4 O3)

Compound Name

N-benzyl-2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-ethylacetamide

IUPAC name

N-benzyl-2-[58-dimethyl-3-(4-methylphenyl)-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl]-N-ethylacetamide

SMILES

CCN(Cc1ccccc1)C(CN(c1c(C(N2c3ccc(C)cc3)=O)n(C)c3c1cc(C)cc3)C2=O)=O

InChI

InChI=1S/C30H30N4O3/c1-5-32(18-22-9-7-6-8-10-22)26(35)19-33-27-24-17-21(3)13-16-25(24)31(4)28(27)29(36)34(30(33)37)23-14-11-20(2)12-15-23/h6-17H,5,18-19H2,1-4H3

InChI Key

ZELVNWSRSFRDCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.521

Distribution Coefficient, logD

4.521

Water Solubility, LogSw

-4.35

Polar Surface Area

49.416

Acid Dissociation Constant (pKa)

22.75

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.30

E737-0039 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 E737-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0039?
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What is the minimum amount of E737-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0039
  • 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 E737-0039 available by request