3011-0219 Screening compound: 1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one

3011-0219 Screening compound: 1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one
3011-0219 Screening compound: 1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3011-0219
1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one

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

3011-0219

Molecular Formula

C19H16FN3OS2 (C19 H16 FN3 OS2)

Compound Name

1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-4-methyl-1,3-thiazol-5-yl}ethan-1-one

IUPAC name

1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-4-methyl-13-thiazol-5-yl}ethan-1-one

SMILES

CC(c1c(C)nc(N(C(C2)c(cc3)ccc3F)N=C2c2cccs2)s1)=O

InChI

InChI=1S/C19H16FN3OS2/c1-11-18(12(2)24)26-19(21-11)23-16(13-5-7-14(20)8-6-13)10-15(22-23)17-4-3-9-25-17/h3-9,16H,10H2,1-2H3/t16-/m0/s1

InChI Key

HRCPIWQUZCLHSQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD01240667

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

385.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.146

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.03

Polar Surface Area

39.161

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

3011-0219 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3011-0219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3011-0219?
Check Price and Availability of 3011-0219, 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 3011-0219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3011-0219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3011-0219
  • 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 3011-0219 available by request