E008-0106 Screening compound: methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate

E008-0106 Screening compound: methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate
E008-0106 Screening compound: methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E008-0106
methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate

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

E008-0106

Molecular Formula

C24H22N4O3S (C24 H22 N4 O3 S)

Compound Name

methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate

IUPAC name

methyl 2-[2-({[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl}sulfanyl)acetamido]benzoate

SMILES

COC(c(cccc1)c1NC(CSCc1c(-n2cccc2)n(-c2ccccc2)nc1)=O)=O

InChI

InChI=1S/C24H22N4O3S/c1-31-24(30)20-11-5-6-12-21(20)26-22(29)17-32-16-18-15-25-28(19-9-3-2-4-10-19)23(18)27-13-7-8-14-27/h2-15H,16-17H2,1H3,(H,26,29)

InChI Key

ULNWGZMXSFRIEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14836927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.657

Water Solubility, LogSw

-4.47

Polar Surface Area

60.449

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-0.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E008-0106 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 E008-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E008-0106?
Check Price and Availability of E008-0106, 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 E008-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E008-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E008-0106
  • 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 E008-0106 available by request