D258-0051 Screening compound: 3-(3-chloro-5-isoxazolyl)-N~1~-(1,3-thiazol-2-yl)propanamide

D258-0051 Screening compound: 3-(3-chloro-5-isoxazolyl)-N~1~-(1,3-thiazol-2-yl)propanamide
D258-0051 Screening compound: 3-(3-chloro-5-isoxazolyl)-N~1~-(1,3-thiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D258-0051
3-(3-chloro-5-isoxazolyl)-N~1~-(1,3-thiazol-2-yl)propanamide

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

D258-0051

Molecular Formula

C9H8ClN3O2S (C9 H8 ClN3 O2 S)

Compound Name

3-(3-chloro-5-isoxazolyl)-N~1~-(1,3-thiazol-2-yl)propanamide

IUPAC name

n/a

SMILES

O=C(CCc1cc(Cl)no1)Nc1nccs1

InChI

InChI=1S/C9H8ClN3O2S/c10-7-5-6(15-13-7)1-2-8(14)12-9-11-3-4-16-9/h3-5H,1-2H2,(H,11,12,14)

InChI Key

TYUPMHOOJPHJLT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14815585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

257.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.702

Distribution Coefficient, logD

1.700

Water Solubility, LogSw

-2.74

Polar Surface Area

54.439

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D258-0051 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments
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 D258-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D258-0051?
Check Price and Availability of D258-0051, 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 D258-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D258-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D258-0051
  • 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 D258-0051 available by request