T479-0484 Screening compound: 3-(3-methoxyphenyl)-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide

T479-0484 Screening compound: 3-(3-methoxyphenyl)-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide
T479-0484 Screening compound: 3-(3-methoxyphenyl)-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T479-0484
3-(3-methoxyphenyl)-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-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

T479-0484

Molecular Formula

C21H24N6O2S (C21 H24 N6 O2 S)

Compound Name

3-(3-methoxyphenyl)-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide

IUPAC name

3-(3-methoxyphenyl)-N-{1-[5-(thiomorpholin-4-yl)pyrimidin-4-yl]-1H-pyrazol-4-yl}propanamide

SMILES

COc1cccc(CCC(Nc2cn(-c(ncnc3)c3N3CCSCC3)nc2)=O)c1

InChI

InChI=1S/C21H24N6O2S/c1-29-18-4-2-3-16(11-18)5-6-20(28)25-17-12-24-27(14-17)21-19(13-22-15-23-21)26-7-9-30-10-8-26/h2-4,11-15H,5-10H2,1H3,(H,25,28)

InChI Key

RGVRSRUFMZPRBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27621658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.400

Distribution Coefficient, logD

2.400

Water Solubility, LogSw

-2.73

Polar Surface Area

68.382

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

T479-0484 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T479-0484 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T479-0484?
Check Price and Availability of T479-0484, 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 T479-0484 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T479-0484
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T479-0484
  • 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 T479-0484 available by request