G755-0210 Screening compound: N-{5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

G755-0210 Screening compound: N-{5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide
G755-0210 Screening compound: N-{5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G755-0210
N-{5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

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

G755-0210

Molecular Formula

C19H13N5O4S2 (C19 H13 N5 O4 S2)

Compound Name

N-{5-[({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{5-[({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1OCO2)Nc1nnc(SCC(N=C2N3C=CC=C2)=CC3=O)s1

InChI

InChI=1S/C19H13N5O4S2/c25-16-8-12(20-15-3-1-2-6-24(15)16)9-29-19-23-22-18(30-19)21-17(26)11-4-5-13-14(7-11)28-10-27-13/h1-8H,9-10H2,(H,21,22,26)

InChI Key

IPCIMLZCSHOOJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.901

Water Solubility, LogSw

-3.46

Polar Surface Area

89.066

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

2.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G755-0210 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G755-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G755-0210?
Check Price and Availability of G755-0210, 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 G755-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G755-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G755-0210
  • 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 G755-0210 available by request