E737-0833 Screening compound: 1-[(4-chlorophenyl)methyl]-8-methoxy-5-methyl-3-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0833 Screening compound: 1-[(4-chlorophenyl)methyl]-8-methoxy-5-methyl-3-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0833 Screening compound: 1-[(4-chlorophenyl)methyl]-8-methoxy-5-methyl-3-(3-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0833
1-[(4-chlorophenyl)methyl]-8-methoxy-5-methyl-3-(3-methylphenyl)-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

E737-0833

Molecular Formula

C26H22ClN3O3 (C26 H22 ClN3 O3)

Compound Name

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

IUPAC name

1-[(4-chlorophenyl)methyl]-8-methoxy-5-methyl-3-(3-methylphenyl)-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc1cccc(N(C(c(n(C)c(cc2)c3cc2OC)c3N2Cc(cc3)ccc3Cl)=O)C2=O)c1

InChI

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

InChI Key

UHYAXOPMLRWPQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914190

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

5.456

Distribution Coefficient, logD

5.456

Water Solubility, LogSw

-5.87

Polar Surface Area

41.279

Acid Dissociation Constant (pKa)

27.41

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 E737-0833 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0833?
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What is the minimum amount of E737-0833 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0833
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0833
  • 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 E737-0833 available by request