E737-0940 Screening compound: 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0940 Screening compound: 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0940 Screening compound: 3-(3-chlorophenyl)-8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0940
3-(3-chlorophenyl)-8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]-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

E737-0940

Molecular Formula

C26H22ClN3O3 (C26 H22 ClN3 O3)

Compound Name

3-(3-chlorophenyl)-8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

3-(3-chlorophenyl)-8-methoxy-5-methyl-1-[(3-methylphenyl)methyl]-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc1cccc(CN(c2c(C(N3c4cccc(Cl)c4)=O)n(C)c(cc4)c2cc4OC)C3=O)c1

InChI

InChI=1S/C26H22ClN3O3/c1-16-6-4-7-17(12-16)15-29-23-21-14-20(33-3)10-11-22(21)28(2)24(23)25(31)30(26(29)32)19-9-5-8-18(27)13-19/h4-14H,15H2,1-3H3

InChI Key

MTMJTJYNCMYKLP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-5.79

Polar Surface Area

41.279

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-2.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with E737-0940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0940?
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What is the minimum amount of E737-0940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0940
  • 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 E737-0940 available by request