E737-0396 Screening compound: methyl 3-{[5,8-dimethyl-3-(2-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate

E737-0396 Screening compound: methyl 3-{[5,8-dimethyl-3-(2-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate
E737-0396 Screening compound: methyl 3-{[5,8-dimethyl-3-(2-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0396
methyl 3-{[5,8-dimethyl-3-(2-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]methyl}-4-methoxybenzoate

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

E737-0396

Molecular Formula

C29H27N3O5 (C29 H27 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)cc2c1n(C)c(C(N1c3c(C)cccc3)=O)c2N(Cc(cc(cc2)C(OC)=O)c2OC)C1=O

InChI

InChI=1S/C29H27N3O5/c1-17-10-12-23-21(14-17)25-26(30(23)3)27(33)32(22-9-7-6-8-18(22)2)29(35)31(25)16-20-15-19(28(34)37-5)11-13-24(20)36-4/h6-15H,16H2,1-5H3

InChI Key

HSTIKFOSLPAAHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914048

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.368

Distribution Coefficient, logD

5.368

Water Solubility, LogSw

-5.46

Polar Surface Area

62.239

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

E737-0396 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E737-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0396?
Check Price and Availability of E737-0396, 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 E737-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0396
  • 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 E737-0396 available by request