D336-0270 Screening compound: 4-ethoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

D336-0270 Screening compound: 4-ethoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide
D336-0270 Screening compound: 4-ethoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0270
4-ethoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

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

D336-0270

Molecular Formula

C22H23N3O3S2 (C22 H23 N3 O3 S2)

Compound Name

4-ethoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)benzamide

IUPAC name

4-ethoxy-N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-13-benzothiazol-6-yl)benzamide

SMILES

CCOc(cc1)ccc1C(Nc(cc1)cc2c1nc(SCC(N1CCCC1)=O)s2)=O

InChI

InChI=1S/C22H23N3O3S2/c1-2-28-17-8-5-15(6-9-17)21(27)23-16-7-10-18-19(13-16)30-22(24-18)29-14-20(26)25-11-3-4-12-25/h5-10,13H,2-4,11-12,14H2,1H3,(H,23,27)

InChI Key

WVVNRSNJRRGAJO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.552

Distribution Coefficient, logD

4.552

Water Solubility, LogSw

-4.23

Polar Surface Area

56.022

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D336-0270 in Drug Discovery

Included in Screening Libraries

Selective Target Activity Profiling Library (14702 compounds)

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 D336-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0270?
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What is the minimum amount of D336-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0270
  • 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 D336-0270 available by request