G647-2915 Screening compound: N-{5-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(2-fluorophenoxy)acetamide

G647-2915 Screening compound: N-{5-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(2-fluorophenoxy)acetamide
G647-2915 Screening compound: N-{5-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(2-fluorophenoxy)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G647-2915
N-{5-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(2-fluorophenoxy)acetamide

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

G647-2915

Molecular Formula

C18H16FN7O3S2 (C18 H16 FN7 O3 S2)

Compound Name

N-{5-[({2-ethyl-7-oxo-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-(2-fluorophenoxy)acetamide

IUPAC name

N-{5-[({2-ethyl-7-oxo-3H7H-[124]triazolo[15-a]pyrimidin-5-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}-2-(2-fluorophenoxy)acetamide

SMILES

CCC(NC1=NC(CSc2nnc(NC(COc(cccc3)c3F)=O)s2)=C2)=NN1C2=O

InChI

InChI=1S/C18H16FN7O3S2/c1-2-13-21-16-20-10(7-15(28)26(16)25-13)9-30-18-24-23-17(31-18)22-14(27)8-29-12-6-4-3-5-11(12)19/h3-7H,2,8-9H2,1H3,(H,20,21,25)(H,22,23,27)

InChI Key

XDHANUIYKNQKNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15025992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.778

Distribution Coefficient, logD

2.778

Water Solubility, LogSw

-3.33

Polar Surface Area

105.575

Acid Dissociation Constant (pKa)

6.54

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

G647-2915 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 G647-2915 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G647-2915?
Check Price and Availability of G647-2915, 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 G647-2915 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G647-2915
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G647-2915
  • 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 G647-2915 available by request