3876-0912 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide

3876-0912 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide
3876-0912 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3876-0912
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide

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

3876-0912

Molecular Formula

C18H18N2OS (C18 H18 N2 OS)

Compound Name

N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]butanamide

IUPAC name

N-[3-(13-benzothiazol-2-yl)-2-methylphenyl]butanamide

SMILES

CCCC(Nc1cccc(-c2nc(cccc3)c3s2)c1C)=O

InChI

InChI=1S/C18H18N2OS/c1-3-7-17(21)19-14-10-6-8-13(12(14)2)18-20-15-9-4-5-11-16(15)22-18/h4-6,8-11H,3,7H2,1-2H3,(H,19,21)

InChI Key

XYIZJGPYEJNTHC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02210375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.515

Distribution Coefficient, logD

4.515

Water Solubility, LogSw

-4.35

Polar Surface Area

32.139

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3876-0912 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3876-0912 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3876-0912?
Check Price and Availability of 3876-0912, 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 3876-0912 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3876-0912
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3876-0912
  • 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 3876-0912 available by request