D231-0028 Screening compound: N-[4-(1H-INDOL-3-YL)-1,3-THIAZOL-2-YL]-2-PHENOXY-N-(PROP-2-EN-1-YL)ACETAMIDE

D231-0028 Screening compound: N-[4-(1H-INDOL-3-YL)-1,3-THIAZOL-2-YL]-2-PHENOXY-N-(PROP-2-EN-1-YL)ACETAMIDE
D231-0028 Screening compound: N-[4-(1H-INDOL-3-YL)-1,3-THIAZOL-2-YL]-2-PHENOXY-N-(PROP-2-EN-1-YL)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound D231-0028
N-[4-(1H-INDOL-3-YL)-1,3-THIAZOL-2-YL]-2-PHENOXY-N-(PROP-2-EN-1-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

D231-0028

Molecular Formula

C22H19N3O2S (C22 H19 N3 O2 S)

Compound Name

N-[4-(1H-INDOL-3-YL)-1,3-THIAZOL-2-YL]-2-PHENOXY-N-(PROP-2-EN-1-YL)ACETAMIDE

IUPAC name

n/a

SMILES

C=CCN(C(COc1ccccc1)=O)c1nc(-c2c[nH]c3c2cccc3)cs1

InChI

InChI=1S/C22H19N3O2S/c1-2-12-25(21(26)14-27-16-8-4-3-5-9-16)22-24-20(15-28-22)18-13-23-19-11-7-6-10-17(18)19/h2-11,13,15,23H,1,12,14H2

InChI Key

APUGLLHTVCLWJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07081782

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.122

Distribution Coefficient, logD

5.122

Water Solubility, LogSw

-5.42

Polar Surface Area

42.231

Acid Dissociation Constant (pKa)

18.47

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D231-0028 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D231-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D231-0028?
Check Price and Availability of D231-0028, 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 D231-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D231-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D231-0028
  • 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 D231-0028 available by request