E737-0623 Screening compound: 3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0623 Screening compound: 3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0623 Screening compound: 3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0623
3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-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

E737-0623

Molecular Formula

C27H25N3O3 (C27 H25 N3 O3)

Compound Name

3-benzyl-1-[(4-methoxyphenyl)methyl]-5,8-dimethyl-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

3-benzyl-1-[(4-methoxyphenyl)methyl]-58-dimethyl-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc(cc1)cc2c1n(C)c(C(N1Cc3ccccc3)=O)c2N(Cc(cc2)ccc2OC)C1=O

InChI

InChI=1S/C27H25N3O3/c1-18-9-14-23-22(15-18)24-25(28(23)2)26(31)30(17-19-7-5-4-6-8-19)27(32)29(24)16-20-10-12-21(33-3)13-11-20/h4-15H,16-17H2,1-3H3

InChI Key

WKMLXQRIPJDQHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.496

Distribution Coefficient, logD

5.496

Water Solubility, LogSw

-5.47

Polar Surface Area

41.891

Acid Dissociation Constant (pKa)

27.62

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

E737-0623 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E737-0623 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0623?
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What is the minimum amount of E737-0623 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0623
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0623
  • 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 E737-0623 available by request