S634-1006 Screening compound: 1-{3-[3-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]piperidin-1-yl}ethan-1-one

S634-1006 Screening compound: 1-{3-[3-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]piperidin-1-yl}ethan-1-one
S634-1006 Screening compound: 1-{3-[3-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]piperidin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S634-1006
1-{3-[3-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]piperidin-1-yl}ethan-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

S634-1006

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

1-{3-[3-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]piperidin-1-yl}ethan-1-one

IUPAC name

1-{3-[3-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-2-yl]piperidin-1-yl}ethan-1-one

SMILES

CC(N(CCC1)CC1c([nH]cc1)c1C(N(CC1)CCN1c1ccccc1)=O)=O

InChI

InChI=1S/C22H28N4O2/c1-17(27)26-11-5-6-18(16-26)21-20(9-10-23-21)22(28)25-14-12-24(13-15-25)19-7-3-2-4-8-19/h2-4,7-10,18,23H,5-6,11-16H2,1H3/t18-/m0/s1

InChI Key

KOXMZEGUFCVRDM-SFHVURJKSA-N

MDL Number (MFCD)

MFCD29016823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.112

Distribution Coefficient, logD

2.112

Water Solubility, LogSw

-2.90

Polar Surface Area

48.033

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

S634-1006 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S634-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S634-1006?
Check Price and Availability of S634-1006, 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 S634-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S634-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S634-1006
  • 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 S634-1006 available by request