E737-0491 Screening compound: 2-{5,8-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-(3,4-dimethylphenyl)acetamide

E737-0491 Screening compound: 2-{5,8-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-(3,4-dimethylphenyl)acetamide
E737-0491 Screening compound: 2-{5,8-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-(3,4-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0491
2-{5,8-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-(3,4-dimethylphenyl)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

E737-0491

Molecular Formula

C28H26N4O3 (C28 H26 N4 O3)

Compound Name

2-{5,8-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-(3,4-dimethylphenyl)acetamide

IUPAC name

2-{58-dimethyl-24-dioxo-3-phenyl-1H2H3H4H5H-pyrimido[54-b]indol-1-yl}-N-(34-dimethylphenyl)acetamide

SMILES

Cc(cc1)cc2c1n(C)c(C(N1c3ccccc3)=O)c2N(CC(Nc2cc(C)c(C)cc2)=O)C1=O

InChI

InChI=1S/C28H26N4O3/c1-17-10-13-23-22(14-17)25-26(30(23)4)27(34)32(21-8-6-5-7-9-21)28(35)31(25)16-24(33)29-20-12-11-18(2)19(3)15-20/h5-15H,16H2,1-4H3,(H,29,33)

InChI Key

PQODNXDUHBWMFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06743351

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.064

Distribution Coefficient, logD

5.064

Water Solubility, LogSw

-4.67

Polar Surface Area

56.885

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.90

References: we are preparing a list of scientific research reports with E737-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0491?
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What is the minimum amount of E737-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0491
  • 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 E737-0491 available by request