0478-0684 Screening compound: N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

0478-0684 Screening compound: N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide
0478-0684 Screening compound: N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0684
N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

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

0478-0684

Molecular Formula

C14H15N3O3S (C14 H15 N3 O3 S)

Compound Name

N-(6-nitro-1,3-benzothiazol-2-yl)cyclohexanecarboxamide

IUPAC name

N-(6-nitro-13-benzothiazol-2-yl)cyclohexanecarboxamide

SMILES

[O-][N+](c(cc1)cc2c1nc(NC(C1CCCCC1)=O)s2)=O

InChI

InChI=1S/C14H15N3O3S/c18-13(9-4-2-1-3-5-9)16-14-15-11-7-6-10(17(19)20)8-12(11)21-14/h6-9H,1-5H2,(H,15,16,18)

InChI Key

VMAKFFKOZSLHDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00412124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.965

Distribution Coefficient, logD

3.965

Water Solubility, LogSw

-4.03

Polar Surface Area

66.665

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

0.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

0478-0684 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 0478-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0684?
Check Price and Availability of 0478-0684, 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 0478-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0684
  • 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 0478-0684 available by request