7238-0974 Screening compound: 1-{3-methyl-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl}azepane

7238-0974 Screening compound: 1-{3-methyl-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl}azepane
7238-0974 Screening compound: 1-{3-methyl-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl}azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 7238-0974
1-{3-methyl-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl}azepane

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

7238-0974

Molecular Formula

C18H23N5OS (C18 H23 N5 OS)

Compound Name

1-{3-methyl-6-phenyl-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine-7-carbonyl}azepane

IUPAC name

1-{3-methyl-6-phenyl-5H6H7H-[124]triazolo[34-b][134]thiadiazine-7-carbonyl}azepane

SMILES

Cc(n1NC2c3ccccc3)nnc1SC2C(N1CCCCCC1)=O

InChI

InChI=1S/C18H23N5OS/c1-13-19-20-18-23(13)21-15(14-9-5-4-6-10-14)16(25-18)17(24)22-11-7-2-3-8-12-22/h4-6,9-10,15-16,21H,2-3,7-8,11-12H2,1H3

InChI Key

LGTDAIHMXCJEBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07433386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.448

Distribution Coefficient, logD

2.448

Water Solubility, LogSw

-2.67

Polar Surface Area

54.720

Acid Dissociation Constant (pKa)

13.76

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

7238-0974 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 7238-0974 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7238-0974?
Check Price and Availability of 7238-0974, 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 7238-0974 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7238-0974
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7238-0974
  • 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 7238-0974 available by request