E737-0935 Screening compound: 2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

E737-0935 Screening compound: 2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
E737-0935 Screening compound: 2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0935
2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

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

E737-0935

Molecular Formula

C25H25ClN4O5 (C25 H25 ClN4 O5)

Compound Name

2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[3-(3-chlorophenyl)-8-methoxy-5-methyl-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1c3cccc(Cl)c3)=O)c2N(CC(NCC2OCCC2)=O)C1=O

InChI

InChI=1S/C25H25ClN4O5/c1-28-20-9-8-17(34-2)12-19(20)22-23(28)24(32)30(16-6-3-5-15(26)11-16)25(33)29(22)14-21(31)27-13-18-7-4-10-35-18/h3,5-6,8-9,11-12,18H,4,7,10,13-14H2,1-2H3,(H,27,31)/t18-/m1/s1

InChI Key

WJCDAFUVTAYZTE-GOSISDBHSA-N

MDL Number (MFCD)

MFCD14914231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.441

Water Solubility, LogSw

-3.42

Polar Surface Area

74.405

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

E737-0935 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E737-0935 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0935?
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What is the minimum amount of E737-0935 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0935
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0935
  • 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 E737-0935 available by request