G856-1329 Screening compound: methyl 2-({4-oxo-3-[4-(trifluoromethoxy)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate

G856-1329 Screening compound: methyl 2-({4-oxo-3-[4-(trifluoromethoxy)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate
G856-1329 Screening compound: methyl 2-({4-oxo-3-[4-(trifluoromethoxy)phenyl]-3H,4H,5H-pyrimido[5,4-b]indol-2-yl}sulfanyl)propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-1329
methyl 2-({4-oxo-3-[4-(trifluoromethoxy)phenyl]-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

G856-1329

Molecular Formula

C21H16F3N3O4S (C21 H16 F3 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C(OC)=O)SC(N(c(cc1)ccc1OC(F)(F)F)C1=O)=Nc2c1[nH]c1c2cccc1

InChI

InChI=1S/C21H16F3N3O4S/c1-11(19(29)30-2)32-20-26-16-14-5-3-4-6-15(14)25-17(16)18(28)27(20)12-7-9-13(10-8-12)31-21(22,23)24/h3-11,25H,1-2H3/t11-/m0/s1

InChI Key

CWQDBSGSXHJKBD-NSHDSACASA-N

MDL Number (MFCD)

MFCD05951444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.44

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

4.636

Distribution Coefficient, logD

4.636

Water Solubility, LogSw

-4.47

Polar Surface Area

60.500

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

G856-1329 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

DGK Inhibitors Library (10558 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G856-1329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-1329?
Check Price and Availability of G856-1329, 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 G856-1329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-1329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-1329
  • 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 G856-1329 available by request