F912-0796 Screening compound: 5-(methoxymethyl)-N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-1,3,4-thiadiazole-2-carboxamide

F912-0796 Screening compound: 5-(methoxymethyl)-N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-1,3,4-thiadiazole-2-carboxamide
F912-0796 Screening compound: 5-(methoxymethyl)-N-{3-[4-(pyridin-2-yl)piperazine-1-carbonyl]phenyl}-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F912-0796
5-(methoxymethyl)-N-{3-[4-(pyridin-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

F912-0796

Molecular Formula

C21H22N6O3S (C21 H22 N6 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COCc1nnc(C(Nc2cc(C(N(CC3)CCN3c3ncccc3)=O)ccc2)=O)s1

InChI

InChI=1S/C21H22N6O3S/c1-30-14-18-24-25-20(31-18)19(28)23-16-6-4-5-15(13-16)21(29)27-11-9-26(10-12-27)17-7-2-3-8-22-17/h2-8,13H,9-12,14H2,1H3,(H,23,28)

InChI Key

QFTVTPCCBGIKBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.052

Distribution Coefficient, logD

2.043

Water Solubility, LogSw

-2.86

Polar Surface Area

84.173

Acid Dissociation Constant (pKa)

11.74

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

F912-0796 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with F912-0796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F912-0796?
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What is the minimum amount of F912-0796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F912-0796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F912-0796
  • 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 F912-0796 available by request