C626-0145 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide

C626-0145 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide
C626-0145 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C626-0145
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}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

C626-0145

Molecular Formula

C25H30N4O5S (C25 H30 N4 O5 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-{N-[4-(propan-2-yl)phenyl]135-trimethyl-1H-pyrazole-4-sulfonamido}acetamide

SMILES

CC(C)c(cc1)ccc1N(CC(Nc(cc1)cc2c1OCCO2)=O)S(c1c(C)n(C)nc1C)(=O)=O

InChI

InChI=1S/C25H30N4O5S/c1-16(2)19-6-9-21(10-7-19)29(35(31,32)25-17(3)27-28(5)18(25)4)15-24(30)26-20-8-11-22-23(14-20)34-13-12-33-22/h6-11,14,16H,12-13,15H2,1-5H3,(H,26,30)

InChI Key

DASSSORNVHBTIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778244

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.6

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.530

Distribution Coefficient, logD

2.530

Water Solubility, LogSw

-3.18

Polar Surface Area

85.604

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C626-0145 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C626-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C626-0145?
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What is the minimum amount of C626-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C626-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C626-0145
  • 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 C626-0145 available by request