D335-1213 Screening compound: N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propoxybenzamide

D335-1213 Screening compound: N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propoxybenzamide
D335-1213 Screening compound: N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D335-1213
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propoxybenzamide

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

D335-1213

Molecular Formula

C20H20N2O2S (C20 H20 N2 O2 S)

Compound Name

N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-3-propoxybenzamide

IUPAC name

N-[(2-phenyl-13-thiazol-4-yl)methyl]-3-propoxybenzamide

SMILES

CCCOc1cccc(C(NCc2csc(-c3ccccc3)n2)=O)c1

InChI

InChI=1S/C20H20N2O2S/c1-2-11-24-18-10-6-9-16(12-18)19(23)21-13-17-14-25-20(22-17)15-7-4-3-5-8-15/h3-10,12,14H,2,11,13H2,1H3,(H,21,23)

InChI Key

CNYCPKXDZKMHLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08714291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.46

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

4.980

Distribution Coefficient, logD

4.980

Water Solubility, LogSw

-4.63

Polar Surface Area

42.299

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D335-1213 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D335-1213 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D335-1213?
Check Price and Availability of D335-1213, 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 D335-1213 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D335-1213
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D335-1213
  • 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 D335-1213 available by request