8010-6339 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

8010-6339 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide
8010-6339 Screening compound: N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-6339
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

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

8010-6339

Molecular Formula

C23H18N6O4S2 (C23 H18 N6 O4 S2)

Compound Name

N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-{[5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamide

IUPAC name

N-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-2-{[5-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-134-thiadiazol-2-yl]sulfanyl}acetamide

SMILES

CC(N(C)N(C1=O)c2ccccc2)=C1NC(CSc1nnc(N(C(c2c3cccc2)=O)C3=O)s1)=O

InChI

InChI=1S/C23H18N6O4S2/c1-13-18(21(33)29(27(13)2)14-8-4-3-5-9-14)24-17(30)12-34-23-26-25-22(35-23)28-19(31)15-10-6-7-11-16(15)20(28)32/h3-11H,12H2,1-2H3,(H,24,30)

InChI Key

JLNRUUBTJRPHNA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02018861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.57

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.788

Distribution Coefficient, logD

1.752

Water Solubility, LogSw

-2.72

Polar Surface Area

94.819

Acid Dissociation Constant (pKa)

8.47

Base Dissociation Constant (pKb)

-6.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8010-6339 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-6339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-6339?
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What is the minimum amount of 8010-6339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-6339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-6339
  • 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 8010-6339 available by request