F912-0819 Screening compound: 5-(methoxymethyl)-N-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-1,3,4-thiadiazole-2-carboxamide

F912-0819 Screening compound: 5-(methoxymethyl)-N-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
F912-0819 Screening compound: 5-(methoxymethyl)-N-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F912-0819
5-(methoxymethyl)-N-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-1,3,4-thiadiazole-2-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

F912-0819

Molecular Formula

C20H21N7O3S (C20 H21 N7 O3 S)

Compound Name

5-(methoxymethyl)-N-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-(methoxymethyl)-N-{3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]phenyl}-134-thiadiazole-2-carboxamide

SMILES

COCc1nnc(C(Nc2cc(C(N(CC3)CCN3c3ncccn3)=O)ccc2)=O)s1

InChI

InChI=1S/C20H21N7O3S/c1-30-13-16-24-25-18(31-16)17(28)23-15-5-2-4-14(12-15)19(29)26-8-10-27(11-9-26)20-21-6-3-7-22-20/h2-7,12H,8-11,13H2,1H3,(H,23,28)

InChI Key

QXXYZPRSAXSVOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970546

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.549

Distribution Coefficient, logD

1.549

Water Solubility, LogSw

-2.55

Polar Surface Area

94.024

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

F912-0819 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F912-0819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F912-0819?
Check Price and Availability of F912-0819, 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 F912-0819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F912-0819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F912-0819
  • 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 F912-0819 available by request