3614-0227 Screening compound: N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

3614-0227 Screening compound: N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide
3614-0227 Screening compound: N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3614-0227
N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

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

3614-0227

Molecular Formula

C16H12ClN3O3S2 (C16 H12 ClN3 O3 S2)

Compound Name

N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)acetamide

IUPAC name

N-(2-{[(2-chloro-6-nitrophenyl)methyl]sulfanyl}-13-benzothiazol-6-yl)acetamide

SMILES

CC(Nc(cc1)cc2c1nc(SCc(c([N+]([O-])=O)ccc1)c1Cl)s2)=O

InChI

InChI=1S/C16H12ClN3O3S2/c1-9(21)18-10-5-6-13-15(7-10)25-16(19-13)24-8-11-12(17)3-2-4-14(11)20(22)23/h2-7H,8H2,1H3,(H,18,21)

InChI Key

JIILCLISLBIQJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03571261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.723

Distribution Coefficient, logD

4.723

Water Solubility, LogSw

-4.87

Polar Surface Area

65.391

Acid Dissociation Constant (pKa)

12.02

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with 3614-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3614-0227?
Check Price and Availability of 3614-0227, 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 3614-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3614-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3614-0227
  • 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 3614-0227 available by request