8009-7601 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

8009-7601 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
8009-7601 Screening compound: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7601
N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

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

8009-7601

Molecular Formula

C17H17N7OS2 (C17 H17 N7 OS2)

Compound Name

N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide

IUPAC name

N-(5-methyl-134-thiadiazol-2-yl)-2-{[5-(propan-2-yl)-5H-[124]triazino[56-b]indol-3-yl]sulfanyl}acetamide

SMILES

CC(C)n1c2nc(SCC(Nc3nnc(C)s3)=O)nnc2c2c1cccc2

InChI

InChI=1S/C17H17N7OS2/c1-9(2)24-12-7-5-4-6-11(12)14-15(24)19-16(22-21-14)26-8-13(25)18-17-23-20-10(3)27-17/h4-7,9H,8H2,1-3H3,(H,18,23,25)

InChI Key

RLMKABXRJVTJPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.660

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-3.08

Polar Surface Area

80.554

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

3.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

References: we are preparing a list of scientific research reports with 8009-7601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7601?
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What is the minimum amount of 8009-7601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7601
  • 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 8009-7601 available by request