D336-0220 Screening compound: N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-2-carboxamide

D336-0220 Screening compound: N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-2-carboxamide
D336-0220 Screening compound: N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0220
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-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

D336-0220

Molecular Formula

C18H17N3O3S2 (C18 H17 N3 O3 S2)

Compound Name

N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)furan-2-carboxamide

IUPAC name

N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-13-benzothiazol-6-yl)furan-2-carboxamide

SMILES

O=C(CSc1nc(ccc(NC(c2ccco2)=O)c2)c2s1)N1CCCC1

InChI

InChI=1S/C18H17N3O3S2/c22-16(21-7-1-2-8-21)11-25-18-20-13-6-5-12(10-15(13)26-18)19-17(23)14-4-3-9-24-14/h3-6,9-10H,1-2,7-8,11H2,(H,19,23)

InChI Key

XCBFBQLRUSAVPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819692

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.456

Distribution Coefficient, logD

3.456

Water Solubility, LogSw

-3.76

Polar Surface Area

57.476

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

D336-0220 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 D336-0220 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0220?
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What is the minimum amount of D336-0220 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0220
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0220
  • 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 D336-0220 available by request