E737-0784 Screening compound: 3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(2-methylpropyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-0784 Screening compound: 3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(2-methylpropyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-0784 Screening compound: 3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(2-methylpropyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0784
3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(2-methylpropyl)-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

E737-0784

Molecular Formula

C22H21ClFN3O3 (C22 H21 ClFN3 O3)

Compound Name

3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(2-methylpropyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

3-(3-chloro-4-fluorophenyl)-8-methoxy-5-methyl-1-(2-methylpropyl)-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

CC(C)CN(c1c(C(N2c(cc3)cc(Cl)c3F)=O)n(C)c(cc3)c1cc3OC)C2=O

InChI

InChI=1S/C22H21ClFN3O3/c1-12(2)11-26-19-15-10-14(30-4)6-8-18(15)25(3)20(19)21(28)27(22(26)29)13-5-7-17(24)16(23)9-13/h5-10,12H,11H2,1-4H3

InChI Key

SFMHWKMQLKZQKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914171

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.88

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

4.597

Distribution Coefficient, logD

4.597

Water Solubility, LogSw

-4.74

Polar Surface Area

41.551

Acid Dissociation Constant (pKa)

25.13

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

E737-0784 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E737-0784 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0784?
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What is the minimum amount of E737-0784 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0784
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0784
  • 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 E737-0784 available by request