D336-0219 Screening compound: N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide

D336-0219 Screening compound: N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide
D336-0219 Screening compound: N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-0219
N-(2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3-benzothiazol-6-yl)thiophene-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

D336-0219

Molecular Formula

C18H17N3O2S3 (C18 H17 N3 O2 S3)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1nc(ccc(NC(c2cccs2)=O)c2)c2s1)N1CCCC1

InChI

InChI=1S/C18H17N3O2S3/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

DZWJWMVTWKYUTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819691

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.096

Distribution Coefficient, logD

4.096

Water Solubility, LogSw

-4.10

Polar Surface Area

49.916

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with D336-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-0219?
Check Price and Availability of D336-0219, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D336-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-0219
  • 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 D336-0219 available by request