8005-1943 Screening compound: 1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)piperidine

8005-1943 Screening compound: 1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)piperidine
8005-1943 Screening compound: 1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1943
1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)piperidine

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

8005-1943

Molecular Formula

C29H26FN5O4S2 (C29 H26 FN5 O4 S2)

Compound Name

1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzenesulfonyl)piperidine

IUPAC name

1-(4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-45-dihydro-1H-pyrazol-1-yl]-13-thiazol-4-yl}benzenesulfonyl)piperidine

SMILES

[O-][N+](c1cccc(C(CC2c(cc3)ccc3F)=NN2c2nc(-c(cc3)ccc3S(N3CCCCC3)(=O)=O)cs2)c1)=O

InChI

InChI=1S/C29H26FN5O4S2/c30-23-11-7-21(8-12-23)28-18-26(22-5-4-6-24(17-22)35(36)37)32-34(28)29-31-27(19-40-29)20-9-13-25(14-10-20)41(38,39)33-15-2-1-3-16-33/h4-14,17,19,28H,1-3,15-16,18H2/t28-/m0/s1

InChI Key

AWSXJYQYMKLULM-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD00747732

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

591.69

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

7.340

Distribution Coefficient, logD

7.340

Water Solubility, LogSw

-6.35

Polar Surface Area

88.560

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.10

8005-1943 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-1943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1943?
Check Price and Availability of 8005-1943, 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 8005-1943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1943
  • 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 8005-1943 available by request