7238-1368 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-[(furan-2-yl)methyl]-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide

7238-1368 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-[(furan-2-yl)methyl]-3-methyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carboxamide
7238-1368 Screening compound: 6-(3-chloro-4-methoxyphenyl)-N-[(furan-2-yl)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 7238-1368
6-(3-chloro-4-methoxyphenyl)-N-[(furan-2-yl)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

7238-1368

Molecular Formula

C18H18ClN5O3S (C18 H18 ClN5 O3 S)

Compound Name

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

IUPAC name

6-(3-chloro-4-methoxyphenyl)-N-[(furan-2-yl)methyl]-3-methyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carboxamide

SMILES

Cc(n1NC2c(cc3)cc(Cl)c3OC)nnc1SC2C(NCc1ccco1)=O

InChI

InChI=1S/C18H18ClN5O3S/c1-10-21-22-18-24(10)23-15(11-5-6-14(26-2)13(19)8-11)16(28-18)17(25)20-9-12-4-3-7-27-12/h3-8,15-16,23H,9H2,1-2H3,(H,20,25)

InChI Key

QLCYKKMSINLPHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07433489

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.89

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.342

Distribution Coefficient, logD

2.342

Water Solubility, LogSw

-3.40

Polar Surface Area

77.533

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

7238-1368 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7238-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-1368?
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What is the minimum amount of 7238-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-1368
  • 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 7238-1368 available by request