G856-9876 Screening compound: 3-tert-butyl-1-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea

G856-9876 Screening compound: 3-tert-butyl-1-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
G856-9876 Screening compound: 3-tert-butyl-1-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9876
3-tert-butyl-1-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea

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

G856-9876

Molecular Formula

C14H23N5O2S2 (C14 H23 N5 O2 S2)

Compound Name

3-tert-butyl-1-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea

IUPAC name

3-tert-butyl-1-(5-{[2-oxo-2-(piperidin-1-yl)ethyl]sulfanyl}-134-thiadiazol-2-yl)urea

SMILES

CC(C)(C)NC(Nc1nnc(SCC(N2CCCCC2)=O)s1)=O

InChI

InChI=1S/C14H23N5O2S2/c1-14(2,3)16-11(21)15-12-17-18-13(23-12)22-9-10(20)19-7-5-4-6-8-19/h4-9H2,1-3H3,(H2,15,16,17,21)

InChI Key

KCILDLFGQBKLMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07196208

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.027

Distribution Coefficient, logD

3.027

Water Solubility, LogSw

-3.12

Polar Surface Area

71.986

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

G856-9876 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G856-9876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9876?
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What is the minimum amount of G856-9876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9876
  • 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 G856-9876 available by request