C626-0176 Screening compound: 2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[3-(propan-2-yloxy)propyl]acetamide

C626-0176 Screening compound: 2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[3-(propan-2-yloxy)propyl]acetamide
C626-0176 Screening compound: 2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[3-(propan-2-yloxy)propyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C626-0176
2-{N-[4-(propan-2-yl)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}-N-[3-(propan-2-yloxy)propyl]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

C626-0176

Molecular Formula

C23H36N4O4S (C23 H36 N4 O4 S)

Compound Name

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

IUPAC name

2-{N-[4-(propan-2-yl)phenyl]135-trimethyl-1H-pyrazole-4-sulfonamido}-N-[3-(propan-2-yloxy)propyl]acetamide

SMILES

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

InChI

InChI=1S/C23H36N4O4S/c1-16(2)20-9-11-21(12-10-20)27(15-22(28)24-13-8-14-31-17(3)4)32(29,30)23-18(5)25-26(7)19(23)6/h9-12,16-17H,8,13-15H2,1-7H3,(H,24,28)

InChI Key

CENXGGOUZUDPLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14778255

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.142

Distribution Coefficient, logD

2.142

Water Solubility, LogSw

-2.85

Polar Surface Area

78.417

Acid Dissociation Constant (pKa)

15.73

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

C626-0176 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C626-0176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C626-0176?
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What is the minimum amount of C626-0176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C626-0176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C626-0176
  • 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 C626-0176 available by request