7238-1111 Screening compound: 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1111 Screening compound: 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1111 Screening compound: 6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-1111
6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-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

7238-1111

Molecular Formula

C20H20FN5O2S (C20 H20 FN5 O2 S)

Compound Name

6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

IUPAC name

6-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-3-methyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

Cc(n1NC2c(cc3)ccc3F)nnc1SC2C(NCc(cc1)ccc1OC)=O

InChI

InChI=1S/C20H20FN5O2S/c1-12-23-24-20-26(12)25-17(14-5-7-15(21)8-6-14)18(29-20)19(27)22-11-13-3-9-16(28-2)10-4-13/h3-10,17-18,25H,11H2,1-2H3,(H,22,27)

InChI Key

LCRKTPXSVTZWDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07433414

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.130

Distribution Coefficient, logD

2.130

Water Solubility, LogSw

-2.62

Polar Surface Area

69.697

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

7238-1111 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7238-1111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1111?
Check Price and Availability of 7238-1111, 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 7238-1111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1111
  • 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 7238-1111 available by request