2152-0208 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide

2152-0208 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide
2152-0208 Screening compound: N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2152-0208
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide

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

2152-0208

Molecular Formula

C26H26N2O2S (C26 H26 N2 O2 S)

Compound Name

N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide

IUPAC name

N-[5-(13-benzothiazol-2-yl)-2-methylphenyl]-3-(3-methylbutoxy)benzamide

SMILES

CC(C)CCOc1cccc(C(Nc2c(C)ccc(-c3nc(cccc4)c4s3)c2)=O)c1

InChI

InChI=1S/C26H26N2O2S/c1-17(2)13-14-30-21-8-6-7-19(15-21)25(29)27-23-16-20(12-11-18(23)3)26-28-22-9-4-5-10-24(22)31-26/h4-12,15-17H,13-14H2,1-3H3,(H,27,29)

InChI Key

IPTQLLWXVPJCPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01532835

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.089

Distribution Coefficient, logD

7.089

Water Solubility, LogSw

-5.67

Polar Surface Area

39.498

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

2152-0208 in Drug Discovery

Included in Screening Libraries

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

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2152-0208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2152-0208?
Check Price and Availability of 2152-0208, 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 2152-0208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2152-0208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2152-0208
  • 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 2152-0208 available by request