3011-0275 Screening compound: 2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole

3011-0275 Screening compound: 2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole
3011-0275 Screening compound: 2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3011-0275
2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole

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

3011-0275

Molecular Formula

C28H24FN5O4S2 (C28 H24 FN5 O4 S2)

Compound Name

2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazole

IUPAC name

2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-45-dihydro-1H-pyrazol-1-yl]-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-13-thiazole

SMILES

[O-][N+](c1cccc(C(CC2c(cc3)ccc3F)=NN2c2nc(-c(cc3)ccc3S(N3CCCC3)(=O)=O)cs2)c1)=O

InChI

InChI=1S/C28H24FN5O4S2/c29-22-10-6-20(7-11-22)27-17-25(21-4-3-5-23(16-21)34(35)36)31-33(27)28-30-26(18-39-28)19-8-12-24(13-9-19)40(37,38)32-14-1-2-15-32/h3-13,16,18,27H,1-2,14-15,17H2/t27-/m0/s1

InChI Key

QYCXUYDCANBQEA-MHZLTWQESA-N

MDL Number (MFCD)

MFCD02085564

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

577.66

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.010

Distribution Coefficient, logD

7.010

Water Solubility, LogSw

-6.45

Polar Surface Area

88.926

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

3011-0275 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Lipid Metabolism Library (9174 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cardiovascular
  • Metabolic
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 3011-0275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3011-0275?
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What is the minimum amount of 3011-0275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3011-0275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3011-0275
  • 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 3011-0275 available by request