E008-1135 Screening compound: 1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one

E008-1135 Screening compound: 1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one
E008-1135 Screening compound: 1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E008-1135
1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one

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

E008-1135

Molecular Formula

C23H28N4OS (C23 H28 N4 OS)

Compound Name

1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one

IUPAC name

1-(azepan-1-yl)-3-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)propan-1-one

SMILES

O=C(CCSCc1c(-n2cccc2)n(-c2ccccc2)nc1)N1CCCCCC1

InChI

InChI=1S/C23H28N4OS/c28-22(25-13-6-1-2-7-14-25)12-17-29-19-20-18-24-27(21-10-4-3-5-11-21)23(20)26-15-8-9-16-26/h3-5,8-11,15-16,18H,1-2,6-7,12-14,17,19H2

InChI Key

ZQAGJSWJQBTVCD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836973

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.668

Distribution Coefficient, logD

4.668

Water Solubility, LogSw

-4.41

Polar Surface Area

33.547

Acid Dissociation Constant (pKa)

23.81

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

E008-1135 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E008-1135 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-1135?
Check Price and Availability of E008-1135, 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 E008-1135 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-1135
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-1135
  • 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 E008-1135 available by request