P113-1074 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

P113-1074 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide
P113-1074 Screening compound: N-[(3,5-difluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P113-1074
N-[(3,5-difluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

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

P113-1074

Molecular Formula

C22H22F2N4O2S (C22 H22 F2 N4 O2 S)

Compound Name

N-[(3,5-difluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-1,3-thiazole-4-carboxamide

IUPAC name

N-[(35-difluorophenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-13-thiazole-4-carboxamide

SMILES

COc1cccc(N(CC2)CCN2c2nc(C(NCc3cc(F)cc(F)c3)=O)cs2)c1

InChI

InChI=1S/C22H22F2N4O2S/c1-30-19-4-2-3-18(12-19)27-5-7-28(8-6-27)22-26-20(14-31-22)21(29)25-13-15-9-16(23)11-17(24)10-15/h2-4,9-12,14H,5-8,13H2,1H3,(H,25,29)

InChI Key

SBAHBHNGGFJACA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27565223

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.866

Distribution Coefficient, logD

4.866

Water Solubility, LogSw

-4.69

Polar Surface Area

48.729

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

6.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

P113-1074 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with P113-1074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P113-1074?
Check Price and Availability of P113-1074, 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 P113-1074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P113-1074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P113-1074
  • 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 P113-1074 available by request