D344-4158 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide

D344-4158 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide
D344-4158 Screening compound: N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D344-4158
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2-phenoxypropanamide

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

D344-4158

Molecular Formula

C23H20N2O2S (C23 H20 N2 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc1cccc(-c2nc(cccc3)c3s2)c1C)=O)Oc1ccccc1

InChI

InChI=1S/C23H20N2O2S/c1-15-18(23-25-20-12-6-7-14-21(20)28-23)11-8-13-19(15)24-22(26)16(2)27-17-9-4-3-5-10-17/h3-14,16H,1-2H3,(H,24,26)/t16-/m0/s1

InChI Key

YMDODAGXXNRBIZ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14820754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.649

Water Solubility, LogSw

-5.47

Polar Surface Area

38.870

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.00

D344-4158 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 D344-4158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D344-4158?
Check Price and Availability of D344-4158, 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 D344-4158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D344-4158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D344-4158
  • 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 D344-4158 available by request