S348-0318 Screening compound: ethyl 2-(2-{3-ethyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamido)benzoate

S348-0318 Screening compound: ethyl 2-(2-{3-ethyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamido)benzoate
S348-0318 Screening compound: ethyl 2-(2-{3-ethyl-5,6-dimethyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrrolo[3,2-d]pyrimidin-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S348-0318
ethyl 2-(2-{3-ethyl-5,6-dimethyl-2,4-dioxo-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

S348-0318

Molecular Formula

C21H24N4O5 (C21 H24 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(c(n(C)c(C)c1)c1N1CC(Nc(cccc2)c2C(OCC)=O)=O)=O)C1=O

InChI

InChI=1S/C21H24N4O5/c1-5-24-19(27)18-16(11-13(3)23(18)4)25(21(24)29)12-17(26)22-15-10-8-7-9-14(15)20(28)30-6-2/h7-11H,5-6,12H2,1-4H3,(H,22,26)

InChI Key

HWQBIZNGIVKOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD29000077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

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

2.327

Distribution Coefficient, logD

2.314

Water Solubility, LogSw

-3.05

Polar Surface Area

77.112

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

S348-0318 in Drug Discovery

Included in Screening Libraries

Ligand-Gated Ion Channels Library (3887 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Eye
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with S348-0318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S348-0318?
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What is the minimum amount of S348-0318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S348-0318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S348-0318
  • 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 S348-0318 available by request