G856-1318 Screening compound: ethyl 2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate

G856-1318 Screening compound: ethyl 2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate
G856-1318 Screening compound: ethyl 2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1318
ethyl 2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}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

G856-1318

Molecular Formula

C20H16N4O5S (C20 H16 N4 O5 S)

Compound Name

ethyl 2-{[3-(4-nitrophenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[3-(4-nitrophenyl)-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(N(c(cc1)ccc1[N+]([O-])=O)C1=O)=Nc2c1[nH]c1c2cccc1)=O

InChI

InChI=1S/C20H16N4O5S/c1-2-29-16(25)11-30-20-22-17-14-5-3-4-6-15(14)21-18(17)19(26)23(20)12-7-9-13(10-8-12)24(27)28/h3-10,21H,2,11H2,1H3

InChI Key

WKWFEBUQIFUIRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04458572

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.185

Distribution Coefficient, logD

3.185

Water Solubility, LogSw

-3.37

Polar Surface Area

86.930

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

1.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

G856-1318 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 G856-1318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1318?
Check Price and Availability of G856-1318, 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 G856-1318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1318
  • 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 G856-1318 available by request