E213-0969 Screening compound: 3-methyl-4-oxo-N~2~-(2-pyridylmethyl)-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0969 Screening compound: 3-methyl-4-oxo-N~2~-(2-pyridylmethyl)-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0969 Screening compound: 3-methyl-4-oxo-N~2~-(2-pyridylmethyl)-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0969
3-methyl-4-oxo-N~2~-(2-pyridylmethyl)-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

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

E213-0969

Molecular Formula

C17H16N4O2S (C17 H16 N4 O2 S)

Compound Name

3-methyl-4-oxo-N~2~-(2-pyridylmethyl)-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

IUPAC name

4-methyl-2-oxo-N-[(pyridin-2-yl)methyl]-6-thia-18-diazatricyclo[7.3.0.0^{37}]dodeca-3(7)48-triene-5-carboxamide

SMILES

Cc1c(C(NCc2ncccc2)=O)sc(N=C2N3CCC2)c1C3=O

InChI

InChI=1S/C17H16N4O2S/c1-10-13-16(20-12-6-4-8-21(12)17(13)23)24-14(10)15(22)19-9-11-5-2-3-7-18-11/h2-3,5,7H,4,6,8-9H2,1H3,(H,19,22)

InChI Key

SWXVTWQPTGIQPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10269136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.320

Distribution Coefficient, logD

1.319

Water Solubility, LogSw

-2.15

Polar Surface Area

60.613

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

E213-0969 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with E213-0969 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0969?
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What is the minimum amount of E213-0969 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0969
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0969
  • 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 E213-0969 available by request