C798-1118 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

C798-1118 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
C798-1118 Screening compound: N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1118
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

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

C798-1118

Molecular Formula

C24H27N5O2S (C24 H27 N5 O2 S)

Compound Name

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

IUPAC name

N-[2-(35-dimethyl-12-oxazol-4-yl)ethyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

SMILES

Cc1noc(C)c1CCNC(CCSCc1c(-n2cccc2)n(-c2ccccc2)nc1)=O

InChI

InChI=1S/C24H27N5O2S/c1-18-22(19(2)31-27-18)10-12-25-23(30)11-15-32-17-20-16-26-29(21-8-4-3-5-9-21)24(20)28-13-6-7-14-28/h3-9,13-14,16H,10-12,15,17H2,1-2H3,(H,25,30)

InChI Key

ZIBSEQSHEOCTMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.696

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.91

Polar Surface Area

63.175

Acid Dissociation Constant (pKa)

14.17

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

C798-1118 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 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 C798-1118 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1118?
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What is the minimum amount of C798-1118 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1118
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1118
  • 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 C798-1118 available by request