5999-4815 Screening compound: 2-(4-fluorophenoxy)-N-{4-[4-(morpholine-4-sulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide

5999-4815 Screening compound: 2-(4-fluorophenoxy)-N-{4-[4-(morpholine-4-sulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide
5999-4815 Screening compound: 2-(4-fluorophenoxy)-N-{4-[4-(morpholine-4-sulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5999-4815
2-(4-fluorophenoxy)-N-{4-[4-(morpholine-4-sulfonyl)phenyl]-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

5999-4815

Molecular Formula

C22H22FN3O5S2 (C22 H22 FN3 O5 S2)

Compound Name

2-(4-fluorophenoxy)-N-{4-[4-(morpholine-4-sulfonyl)phenyl]-1,3-thiazol-2-yl}propanamide

IUPAC name

2-(4-fluorophenoxy)-N-{4-[4-(morpholine-4-sulfonyl)phenyl]-13-thiazol-2-yl}propanamide

SMILES

CC(C(Nc1nc(-c(cc2)ccc2S(N2CCOCC2)(=O)=O)cs1)=O)Oc(cc1)ccc1F

InChI

InChI=1S/C22H22FN3O5S2/c1-15(31-18-6-4-17(23)5-7-18)21(27)25-22-24-20(14-32-22)16-2-8-19(9-3-16)33(28,29)26-10-12-30-13-11-26/h2-9,14-15H,10-13H2,1H3,(H,24,25,27)/t15-/m0/s1

InChI Key

QNFWIKYQGRWRHB-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03718217

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

4.073

Water Solubility, LogSw

-4.06

Polar Surface Area

79.513

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-1.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

5999-4815 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5999-4815 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5999-4815?
Check Price and Availability of 5999-4815, 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 5999-4815 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5999-4815
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5999-4815
  • 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 5999-4815 available by request