G857-1853 Screening compound: 5-[(4-ethylpiperazin-1-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

G857-1853 Screening compound: 5-[(4-ethylpiperazin-1-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
G857-1853 Screening compound: 5-[(4-ethylpiperazin-1-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1853
5-[(4-ethylpiperazin-1-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

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

G857-1853

Molecular Formula

C21H22N6O4S (C21 H22 N6 O4 S)

Compound Name

5-[(4-ethylpiperazin-1-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

IUPAC name

5-[(4-ethylpiperazin-1-yl)(4-nitrophenyl)methyl]-2-(furan-2-yl)-[124]triazolo[32-b][13]thiazol-6-ol

SMILES

CCN(CC1)CCN1C(c(sc1nc(-c2ccco2)nn11)c1O)c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C21H22N6O4S/c1-2-24-9-11-25(12-10-24)17(14-5-7-15(8-6-14)27(29)30)18-20(28)26-21(32-18)22-19(23-26)16-4-3-13-31-16/h3-8,13,17,28H,2,9-12H2,1H3/t17-/m1/s1

InChI Key

XIKKXFCHQTWDCM-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD07192734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.793

Distribution Coefficient, logD

2.793

Water Solubility, LogSw

-2.97

Polar Surface Area

85.390

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

8.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

G857-1853 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G857-1853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1853?
Check Price and Availability of G857-1853, 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 G857-1853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1853
  • 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 G857-1853 available by request