K808-0275 Screening compound: 2-{bicyclo[2.2.1]heptan-2-yl}-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide

K808-0275 Screening compound: 2-{bicyclo[2.2.1]heptan-2-yl}-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide
K808-0275 Screening compound: 2-{bicyclo[2.2.1]heptan-2-yl}-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K808-0275
2-{bicyclo[2.2.1]heptan-2-yl}-N-(6-bromo-1,3-benzothiazol-2-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

K808-0275

Molecular Formula

C16H17BrN2OS (C16 H17 BrN2 OS)

Compound Name

2-{bicyclo[2.2.1]heptan-2-yl}-N-(6-bromo-1,3-benzothiazol-2-yl)acetamide

IUPAC name

2-{bicyclo[2.2.1]heptan-2-yl}-N-(6-bromo-13-benzothiazol-2-yl)acetamide

SMILES

O=C(CC1C(CC2)CC2C1)Nc1nc(ccc(Br)c2)c2s1

InChI

InChI=1S/C16H17BrN2OS/c17-12-3-4-13-14(8-12)21-16(18-13)19-15(20)7-11-6-9-1-2-10(11)5-9/h3-4,8-11H,1-2,5-7H2,(H,18,19,20)

InChI Key

CEHAQFARYSGIMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15109214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.29

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.346

Distribution Coefficient, logD

5.346

Water Solubility, LogSw

-5.77

Polar Surface Area

33.722

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

50.00

K808-0275 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with K808-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K808-0275?
Check Price and Availability of K808-0275, 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 K808-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K808-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K808-0275
  • 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 K808-0275 available by request