C798-1125 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

C798-1125 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
C798-1125 Screening compound: N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C798-1125
N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-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

C798-1125

Molecular Formula

C30H34FN5OS (C30 H34 FN5 OS)

Compound Name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

IUPAC name

N-({1-[(2-fluorophenyl)methyl]piperidin-4-yl}methyl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

SMILES

O=C(CCSCc1c(-n2cccc2)n(-c2ccccc2)nc1)NCC1CCN(Cc(cccc2)c2F)CC1

InChI

InChI=1S/C30H34FN5OS/c31-28-11-5-4-8-25(28)22-34-17-12-24(13-18-34)20-32-29(37)14-19-38-23-26-21-33-36(27-9-2-1-3-10-27)30(26)35-15-6-7-16-35/h1-11,15-16,21,24H,12-14,17-20,22-23H2,(H,32,37)

InChI Key

KVNBZLICBHMYGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.512

Distribution Coefficient, logD

3.722

Water Solubility, LogSw

-5.62

Polar Surface Area

45.028

Acid Dissociation Constant (pKa)

13.98

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C798-1125 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

SH2 Library (10483 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C798-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C798-1125?
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What is the minimum amount of C798-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C798-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C798-1125
  • 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 C798-1125 available by request