G856-1123 Screening compound: methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate

G856-1123 Screening compound: methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
G856-1123 Screening compound: methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1123
methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate

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

G856-1123

Molecular Formula

C22H21N3O4S (C22 H21 N3 O4 S)

Compound Name

methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate

IUPAC name

methyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}propanoate

SMILES

CCOc(cc1)ccc1N(C1=O)C(SC(C)C(OC)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C22H21N3O4S/c1-4-29-15-11-9-14(10-12-15)25-20(26)19-18(16-7-5-6-8-17(16)23-19)24-22(25)30-13(2)21(27)28-3/h5-13,23H,4H2,1-3H3/t13-/m0/s1

InChI Key

ZVKGLQDAFWLKST-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04458430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.49

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.814

Distribution Coefficient, logD

3.814

Water Solubility, LogSw

-4.06

Polar Surface Area

61.687

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

G856-1123 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

CNS targets activity set (6557 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with G856-1123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1123?
Check Price and Availability of G856-1123, 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 G856-1123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1123
  • 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 G856-1123 available by request