G856-1349 Screening compound: 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

G856-1349 Screening compound: 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
G856-1349 Screening compound: 2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1349
2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)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

G856-1349

Molecular Formula

C17H16N6O2S2 (C17 H16 N6 O2 S2)

Compound Name

2-({3-ethyl-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-({3-ethyl-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl}sulfanyl)-N-(5-methyl-134-thiadiazol-2-yl)acetamide

SMILES

CCN(C1=O)C(SCC(Nc2nnc(C)s2)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C17H16N6O2S2/c1-3-23-15(25)14-13(10-6-4-5-7-11(10)18-14)20-17(23)26-8-12(24)19-16-22-21-9(2)27-16/h4-7,18H,3,8H2,1-2H3,(H,19,22,24)

InChI Key

PXIBCPJSUVLQSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.114

Distribution Coefficient, logD

2.083

Water Solubility, LogSw

-2.75

Polar Surface Area

80.226

Acid Dissociation Constant (pKa)

8.54

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

G856-1349 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
  • Kinases

References: we are preparing a list of scientific research reports with G856-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1349?
Check Price and Availability of G856-1349, 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 G856-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1349
  • 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 G856-1349 available by request