G856-9875 Screening compound: 3-tert-butyl-1-(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea

G856-9875 Screening compound: 3-tert-butyl-1-(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea
G856-9875 Screening compound: 3-tert-butyl-1-(5-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G856-9875
3-tert-butyl-1-(5-{[2-oxo-2-(pyrrolidin-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

G856-9875

Molecular Formula

C13H21N5O2S2 (C13 H21 N5 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(Nc1nnc(SCC(N2CCCC2)=O)s1)=O

InChI

InChI=1S/C13H21N5O2S2/c1-13(2,3)15-10(20)14-11-16-17-12(22-11)21-8-9(19)18-6-4-5-7-18/h4-8H2,1-3H3,(H2,14,15,16,20)

InChI Key

PKKKNKQVQHWCOB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07196207

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.47

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

2.808

Distribution Coefficient, logD

2.808

Water Solubility, LogSw

-3.06

Polar Surface Area

72.352

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.20

References: we are preparing a list of scientific research reports with G856-9875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G856-9875?
Check Price and Availability of G856-9875, 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 G856-9875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G856-9875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G856-9875
  • 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 G856-9875 available by request