G857-1848 Screening compound: 2-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)(4-nitrophenyl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol

G857-1848 Screening compound: 2-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)(4-nitrophenyl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol
G857-1848 Screening compound: 2-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)(4-nitrophenyl)methyl]-[1,2,4]triazolo[3,2-b][1,3]thiazol-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound G857-1848
2-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)(4-nitrophenyl)methyl]-[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

G857-1848

Molecular Formula

C21H21N5O4S (C21 H21 N5 O4 S)

Compound Name

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

IUPAC name

2-(furan-2-yl)-5-[(3-methylpiperidin-1-yl)(4-nitrophenyl)methyl]-[124]triazolo[32-b][13]thiazol-6-ol

SMILES

CC(CCC1)CN1C(c(sc1nc(-c2ccco2)nn11)c1O)c(cc1)ccc1[N+]([O-])=O

InChI

InChI=1S/C21H21N5O4S/c1-13-4-2-10-24(12-13)17(14-6-8-15(9-7-14)26(28)29)18-20(27)25-21(31-18)22-19(23-25)16-5-3-11-30-16/h3,5-9,11,13,17,27H,2,4,10,12H2,1H3

InChI Key

HULICWCIKLNCFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07192727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.826

Distribution Coefficient, logD

3.826

Water Solubility, LogSw

-3.82

Polar Surface Area

81.787

Acid Dissociation Constant (pKa)

4.34

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with G857-1848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G857-1848?
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What is the minimum amount of G857-1848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G857-1848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G857-1848
  • 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 G857-1848 available by request