E737-0034 Screening compound: 2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

E737-0034 Screening compound: 2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide
E737-0034 Screening compound: 2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0034
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(4-methylphenyl)methyl]acetamide

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

E737-0034

Molecular Formula

C29H28N4O3 (C29 H28 N4 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CNC(CN(c2c(C(N3c4ccc(C)cc4)=O)n(C)c4c2cc(C)cc4)C3=O)=O)cc1

InChI

InChI=1S/C29H28N4O3/c1-18-5-10-21(11-6-18)16-30-25(34)17-32-26-23-15-20(3)9-14-24(23)31(4)27(26)28(35)33(29(32)36)22-12-7-19(2)8-13-22/h5-15H,16-17H2,1-4H3,(H,30,34)

InChI Key

FGZPEANJHWMKPD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913938

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.32

Polar Surface Area

58.207

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

-0.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

E737-0034 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E737-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0034?
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What is the minimum amount of E737-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0034
  • 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 E737-0034 available by request