E213-0922 Screening compound: N~2~-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide

E213-0922 Screening compound: N~2~-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
E213-0922 Screening compound: N~2~-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxo-4,6,7,8-tetrahydropyrrolo[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E213-0922
N~2~-(3-chloro-4-methoxyphenyl)-3-methyl-4-oxo-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

E213-0922

Molecular Formula

C18H16ClN3O3S (C18 H16 ClN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Nc(cc2)cc(Cl)c2OC)=O)sc(N=C2N3CCC2)c1C3=O

InChI

InChI=1S/C18H16ClN3O3S/c1-9-14-17(21-13-4-3-7-22(13)18(14)24)26-15(9)16(23)20-10-5-6-12(25-2)11(19)8-10/h5-6,8H,3-4,7H2,1-2H3,(H,20,23)

InChI Key

DNBLMOOZHXLIAH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14847488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.86

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

2.943

Distribution Coefficient, logD

2.823

Water Solubility, LogSw

-3.83

Polar Surface Area

57.379

Acid Dissociation Constant (pKa)

7.90

Base Dissociation Constant (pKb)

0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

E213-0922 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E213-0922 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E213-0922?
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What is the minimum amount of E213-0922 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E213-0922
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E213-0922
  • 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 E213-0922 available by request