3011-0218 Screening compound: 4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate

3011-0218 Screening compound: 4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate
3011-0218 Screening compound: 4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3011-0218
4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate

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

3011-0218

Molecular Formula

C31H24FN3O2S2 (C31 H24 FN3 O2 S2)

Compound Name

4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}phenyl benzoate

IUPAC name

4-{5-ethyl-2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-13-thiazol-4-yl}phenyl benzoate

SMILES

CCc1c(-c(cc2)ccc2OC(c2ccccc2)=O)nc(N(C(C2)c(cc3)ccc3F)N=C2c2cccs2)s1

InChI

InChI=1S/C31H24FN3O2S2/c1-2-27-29(21-12-16-24(17-13-21)37-30(36)22-7-4-3-5-8-22)33-31(39-27)35-26(20-10-14-23(32)15-11-20)19-25(34-35)28-9-6-18-38-28/h3-18,26H,2,19H2,1H3/t26-/m0/s1

InChI Key

VNOUBFIHZIAATQ-SANMLTNESA-N

MDL Number (MFCD)

MFCD01239875

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

553.68

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

8.558

Distribution Coefficient, logD

8.558

Water Solubility, LogSw

-5.97

Polar Surface Area

45.634

Acid Dissociation Constant (pKa)

12.30

Base Dissociation Constant (pKb)

3.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

3011-0218 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3011-0218 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3011-0218?
Check Price and Availability of 3011-0218, 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 3011-0218 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3011-0218
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3011-0218
  • 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 3011-0218 available by request