G864-0151 Screening compound: 4-(2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide

G864-0151 Screening compound: 4-(2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide
G864-0151 Screening compound: 4-(2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G864-0151
4-(2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide

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

G864-0151

Molecular Formula

C22H21N5O4S (C22 H21 N5 O4 S)

Compound Name

4-(2-{[3-(2-methoxyethyl)-4-oxo-3H,4H,5H-pyrimido[5,4-b]indol-2-yl]sulfanyl}acetamido)benzamide

IUPAC name

4-(2-{[3-(2-methoxyethyl)-4-oxo-3H4H5H-pyrimido[54-b]indol-2-yl]sulfanyl}acetamido)benzamide

SMILES

COCCN(C1=O)C(SCC(Nc(cc2)ccc2C(N)=O)=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C22H21N5O4S/c1-31-11-10-27-21(30)19-18(15-4-2-3-5-16(15)25-19)26-22(27)32-12-17(28)24-14-8-6-13(7-9-14)20(23)29/h2-9,25H,10-12H2,1H3,(H2,23,29)(H,24,28)

InChI Key

DNCJISVVEZCBIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05952320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.453

Distribution Coefficient, logD

1.453

Water Solubility, LogSw

-2.30

Polar Surface Area

99.530

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

G864-0151 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
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 G864-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G864-0151?
Check Price and Availability of G864-0151, 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 G864-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G864-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G864-0151
  • 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 G864-0151 available by request