8013-5753 Screening compound: 2,4,6-triisopropyl-N~1~-{3-[(2,4,6-triisopropylphenyl)sulfonyl]-1,3-thiazolan-2-yliden}-1-benzenesulfonamide

8013-5753 Screening compound: 2,4,6-triisopropyl-N~1~-{3-[(2,4,6-triisopropylphenyl)sulfonyl]-1,3-thiazolan-2-yliden}-1-benzenesulfonamide
8013-5753 Screening compound: 2,4,6-triisopropyl-N~1~-{3-[(2,4,6-triisopropylphenyl)sulfonyl]-1,3-thiazolan-2-yliden}-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5753
2,4,6-triisopropyl-N~1~-{3-[(2,4,6-triisopropylphenyl)sulfonyl]-1,3-thiazolan-2-yliden}-1-benzenesulfonamide

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

8013-5753

Molecular Formula

C33H50N2O4S3 (C33 H50 N2 O4 S3)

Compound Name

2,4,6-triisopropyl-N~1~-{3-[(2,4,6-triisopropylphenyl)sulfonyl]-1,3-thiazolan-2-yliden}-1-benzenesulfonamide

IUPAC name

246-tris(propan-2-yl)-N-[(2Z)-3-[246-tris(propan-2-yl)benzenesulfonyl]-13-thiazolidin-2-ylidene]benzene-1-sulfonamide

SMILES

CC(C)c(cc1C(C)C)cc(C(C)C)c1S(N(CCS1)/C1=N/S(c1c(C(C)C)cc(C(C)C)cc1C(C)C)(=O)=O)(=O)=O

InChI

InChI=1S/C33H50N2O4S3/c1-19(2)25-15-27(21(5)6)31(28(16-25)22(7)8)41(36,37)34-33-35(13-14-40-33)42(38,39)32-29(23(9)10)17-26(20(3)4)18-30(32)24(11)12/h15-24H,13-14H2,1-12H3

InChI Key

ORRPNXVIACOQTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03766830

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

634.97

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

8.856

Distribution Coefficient, logD

8.856

Water Solubility, LogSw

-5.73

Polar Surface Area

72.666

Acid Dissociation Constant (pKa)

22.40

Base Dissociation Constant (pKb)

-3.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.61

8013-5753 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 8013-5753 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5753?
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What is the minimum amount of 8013-5753 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5753
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5753
  • 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 8013-5753 available by request