S348-1395 Screening compound: ethyl 4-(2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamido)benzoate

S348-1395 Screening compound: ethyl 4-(2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamido)benzoate
S348-1395 Screening compound: ethyl 4-(2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S348-1395
ethyl 4-(2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamido)benzoate

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

S348-1395

Molecular Formula

C25H24N4O5 (C25 H24 N4 O5)

Compound Name

ethyl 4-(2-{5,6-dimethyl-2,4-dioxo-3-phenyl-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{56-dimethyl-24-dioxo-3-phenyl-1H2H3H4H5H-pyrrolo[32-d]pyrimidin-1-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(c1c(C(N2c3ccccc3)=O)n(C)c(C)c1)C2=O)=O)=O

InChI

InChI=1S/C25H24N4O5/c1-4-34-24(32)17-10-12-18(13-11-17)26-21(30)15-28-20-14-16(2)27(3)22(20)23(31)29(25(28)33)19-8-6-5-7-9-19/h5-14H,4,15H2,1-3H3,(H,26,30)

InChI Key

GUIDHAWEJCZTIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

3.090

Water Solubility, LogSw

-3.37

Polar Surface Area

77.202

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

S348-1395 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

Ligand-Gated Ion Channels Library (3887 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
  • Eye
Mechanism of action:
  • PPI modulators
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S348-1395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-1395?
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What is the minimum amount of S348-1395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-1395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-1395
  • 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 S348-1395 available by request