E008-1199 Screening compound: N-[(2-chlorophenyl)methyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide

E008-1199 Screening compound: N-[(2-chlorophenyl)methyl]-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propanamide
E008-1199 Screening compound: N-[(2-chlorophenyl)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 E008-1199
N-[(2-chlorophenyl)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

E008-1199

Molecular Formula

C24H23ClN4OS (C24 H23 ClN4 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCSCc1c(-n2cccc2)n(-c2ccccc2)nc1)NCc(cccc1)c1Cl

InChI

InChI=1S/C24H23ClN4OS/c25-22-11-5-4-8-19(22)16-26-23(30)12-15-31-18-20-17-27-29(21-9-2-1-3-10-21)24(20)28-13-6-7-14-28/h1-11,13-14,17H,12,15-16,18H2,(H,26,30)

InChI Key

JFMPCJOARJCJRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.471

Distribution Coefficient, logD

5.471

Water Solubility, LogSw

-5.93

Polar Surface Area

41.295

Acid Dissociation Constant (pKa)

12.39

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E008-1199 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

SH2 Library (10483 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 E008-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-1199?
Check Price and Availability of E008-1199, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E008-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-1199
  • 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 E008-1199 available by request