3011-0188 Screening compound: 4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-N,N-diethylbenzene-1-sulfonamide

3011-0188 Screening compound: 4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-N,N-diethylbenzene-1-sulfonamide
3011-0188 Screening compound: 4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-N,N-diethylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3011-0188
4-{2-[3-(2,5-dimethylphenyl)-5-(3-nitrophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-1,3-thiazol-4-yl}-N,N-diethylbenzene-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

3011-0188

Molecular Formula

C30H31N5O4S2 (C30 H31 N5 O4 S2)

Compound Name

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

IUPAC name

4-{2-[3-(25-dimethylphenyl)-5-(3-nitrophenyl)-45-dihydro-1H-pyrazol-1-yl]-13-thiazol-4-yl}-NN-diethylbenzene-1-sulfonamide

SMILES

CCN(CC)S(c(cc1)ccc1-c1csc(N(C(C2)c3cc([N+]([O-])=O)ccc3)N=C2c2c(C)ccc(C)c2)n1)(=O)=O

InChI

InChI=1S/C30H31N5O4S2/c1-5-33(6-2)41(38,39)25-14-12-22(13-15-25)28-19-40-30(31-28)34-29(23-8-7-9-24(17-23)35(36)37)18-27(32-34)26-16-20(3)10-11-21(26)4/h7-17,19,29H,5-6,18H2,1-4H3/t29-/m0/s1

InChI Key

ZJOVGTBOOHBYQL-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD00784995

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

589.74

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

7.867

Distribution Coefficient, logD

7.867

Water Solubility, LogSw

-5.87

Polar Surface Area

87.946

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

3011-0188 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 3011-0188 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3011-0188?
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What is the minimum amount of 3011-0188 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3011-0188
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3011-0188
  • 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 3011-0188 available by request