8005-1942 Screening compound: N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide

8005-1942 Screening compound: N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide
8005-1942 Screening compound: N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-1942
N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide

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

8005-1942

Molecular Formula

C28H26FN5O4S2 (C28 H26 FN5 O4 S2)

Compound Name

N,N-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}benzene-1-sulfonamide

IUPAC name

NN-diethyl-4-{2-[5-(4-fluorophenyl)-3-(3-nitrophenyl)-45-dihydro-1H-pyrazol-1-yl]-13-thiazol-4-yl}benzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1-c1csc(N(C(C2)c(cc3)ccc3F)N=C2c2cc([N+]([O-])=O)ccc2)n1)(=O)=O

InChI

InChI=1S/C28H26FN5O4S2/c1-3-32(4-2)40(37,38)24-14-10-19(11-15-24)26-18-39-28(30-26)33-27(20-8-12-22(29)13-9-20)17-25(31-33)21-6-5-7-23(16-21)34(35)36/h5-16,18,27H,3-4,17H2,1-2H3/t27-/m0/s1

InChI Key

XATWFXXWAHWBCK-MHZLTWQESA-N

MDL Number (MFCD)

MFCD00747731

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

579.68

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.167

Distribution Coefficient, logD

7.167

Water Solubility, LogSw

-5.93

Polar Surface Area

87.946

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.40

8005-1942 in Drug Discovery

Included in Screening Libraries

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8005-1942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-1942?
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What is the minimum amount of 8005-1942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-1942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-1942
  • 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 8005-1942 available by request