4715-0130 Screening compound: ethyl 2-{5-[2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}acetate

4715-0130 Screening compound: ethyl 2-{5-[2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}acetate
4715-0130 Screening compound: ethyl 2-{5-[2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4715-0130
ethyl 2-{5-[2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}acetate

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

4715-0130

Molecular Formula

C18H17N7O3S2 (C18 H17 N7 O3 S2)

Compound Name

ethyl 2-{5-[2-({5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl}sulfanyl)acetamido]-1,3,4-thiadiazol-2-yl}acetate

IUPAC name

ethyl 2-{5-[2-({5-methyl-5H-[124]triazino[56-b]indol-3-yl}sulfanyl)acetamido]-134-thiadiazol-2-yl}acetate

SMILES

CCOC(Cc1nnc(NC(CSc2nnc(c(cccc3)c3n3C)c3n2)=O)s1)=O

InChI

InChI=1S/C18H17N7O3S2/c1-3-28-14(27)8-13-21-24-18(30-13)19-12(26)9-29-17-20-16-15(22-23-17)10-6-4-5-7-11(10)25(16)2/h4-7H,3,8-9H2,1-2H3,(H,19,24,26)

InChI Key

UGUDLUQXKLGZRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03175733

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.51

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.139

Distribution Coefficient, logD

2.123

Water Solubility, LogSw

-2.68

Polar Surface Area

101.137

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

4715-0130 in Drug Discovery

Included in Screening Libraries

Human GPCR Annotated Library (5539 compounds)

Nucleoside Mimetics Library (2197 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Structure:
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4715-0130 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4715-0130?
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What is the minimum amount of 4715-0130 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4715-0130
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4715-0130
  • 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 4715-0130 available by request