E737-0009 Screening compound: 1-[(3-fluorophenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0009 Screening compound: 1-[(3-fluorophenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0009 Screening compound: 1-[(3-fluorophenyl)methyl]-5,8-dimethyl-3-(4-methylphenyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0009
1-[(3-fluorophenyl)methyl]-5,8-dimethyl-3-(4-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

E737-0009

Molecular Formula

C26H22FN3O2 (C26 H22 FN3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1N(C(c(n(C)c1c2cc(C)cc1)c2N1Cc2cccc(F)c2)=O)C1=O

InChI

InChI=1S/C26H22FN3O2/c1-16-7-10-20(11-8-16)30-25(31)24-23(21-13-17(2)9-12-22(21)28(24)3)29(26(30)32)15-18-5-4-6-19(27)14-18/h4-14H,15H2,1-3H3

InChI Key

MLHPPEGLXNAEEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.338

Distribution Coefficient, logD

5.338

Water Solubility, LogSw

-5.34

Polar Surface Area

33.736

Acid Dissociation Constant (pKa)

27.48

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

E737-0009 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E737-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0009?
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What is the minimum amount of E737-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0009
  • 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 E737-0009 available by request