8018-8026 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-1,2-oxazole

8018-8026 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-1,2-oxazole
8018-8026 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-5-[4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-1,2-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8026
3-(2H-1,3-benzodioxol-5-yl)-5-[4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-1,2-oxazole

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

8018-8026

Molecular Formula

C24H19N3O4S (C24 H19 N3 O4 S)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-5-[4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[2,3-b]pyridin-2-yl]-1,2-oxazole

IUPAC name

3-(2H-13-benzodioxol-5-yl)-5-[4-(methoxymethyl)-6-methyl-3-(1H-pyrrol-1-yl)thieno[23-b]pyridin-2-yl]-12-oxazole

SMILES

Cc1cc(COC)c(c(-n2cccc2)c(-c2cc(-c(cc3)cc4c3OCO4)no2)s2)c2n1

InChI

InChI=1S/C24H19N3O4S/c1-14-9-16(12-28-2)21-22(27-7-3-4-8-27)23(32-24(21)25-14)20-11-17(26-31-20)15-5-6-18-19(10-15)30-13-29-18/h3-11H,12-13H2,1-2H3

InChI Key

MEECFFSFENYDGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08532411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.636

Distribution Coefficient, logD

5.568

Water Solubility, LogSw

-5.87

Polar Surface Area

59.952

Acid Dissociation Constant (pKa)

28.38

Base Dissociation Constant (pKb)

6.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8018-8026 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-8026 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8018-8026 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8026
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8026
  • 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 8018-8026 available by request