P056-0396 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one

P056-0396 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one
P056-0396 Screening compound: 1-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P056-0396
1-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}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

P056-0396

Molecular Formula

C22H27N3O3S (C22 H27 N3 O3 S)

Compound Name

1-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H,5H,6H,7H-thieno[3,2-c]pyridin-5-yl}propan-1-one

IUPAC name

1-{2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-4H5H6H7H-thieno[32-c]pyridin-5-yl}propan-1-one

SMILES

CCC(N(CC1)Cc2c1sc(C(N(CC1)CCN1c(cc1)ccc1OC)=O)c2)=O

InChI

InChI=1S/C22H27N3O3S/c1-3-21(26)25-9-8-19-16(15-25)14-20(29-19)22(27)24-12-10-23(11-13-24)17-4-6-18(28-2)7-5-17/h4-7,14H,3,8-13,15H2,1-2H3

InChI Key

ITYYDGFJTGFTAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27561283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.52

Polar Surface Area

44.764

Acid Dissociation Constant (pKa)

23.25

Base Dissociation Constant (pKb)

7.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

P056-0396 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with P056-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P056-0396?
Check Price and Availability of P056-0396, 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 P056-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P056-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P056-0396
  • 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 P056-0396 available by request