G856-1122 Screening compound: ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate

G856-1122 Screening compound: ethyl 2-{[3-(4-ethoxyphenyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}propanoate
G856-1122 Screening compound: ethyl 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 G856-1122
ethyl 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

G856-1122

Molecular Formula

C23H23N3O4S (C23 H23 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C)SC(N(c(cc1)ccc1OCC)C1=O)=Nc2c1[nH]c1c2cccc1)=O

InChI

InChI=1S/C23H23N3O4S/c1-4-29-16-12-10-15(11-13-16)26-21(27)20-19(17-8-6-7-9-18(17)24-20)25-23(26)31-14(3)22(28)30-5-2/h6-14,24H,4-5H2,1-3H3/t14-/m0/s1

InChI Key

UUJHXXVOFNAVQW-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04458429

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.255

Distribution Coefficient, logD

4.255

Water Solubility, LogSw

-4.11

Polar Surface Area

61.267

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

G856-1122 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G856-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1122?
Check Price and Availability of G856-1122, 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 G856-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1122
  • 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 G856-1122 available by request