G755-0731 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea

G755-0731 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea
G755-0731 Screening compound: 1-(2H-1,3-benzodioxol-5-yl)-3-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound G755-0731
1-(2H-1,3-benzodioxol-5-yl)-3-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)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

G755-0731

Molecular Formula

C19H13ClN6O4S2 (C19 H13 ClN6 O4 S2)

Compound Name

1-(2H-1,3-benzodioxol-5-yl)-3-{5-[({7-chloro-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}urea

IUPAC name

1-(2H-13-benzodioxol-5-yl)-3-{5-[({7-chloro-4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}urea

SMILES

O=C(Nc1nnc(SCC(N=C(C=C2)N3C=C2Cl)=CC3=O)s1)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C19H13ClN6O4S2/c20-10-1-4-15-21-12(6-16(27)26(15)7-10)8-31-19-25-24-18(32-19)23-17(28)22-11-2-3-13-14(5-11)30-9-29-13/h1-7H,8-9H2,(H2,22,23,24,28)

InChI Key

NHNCIQJDBPZNRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27155991

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.500

Distribution Coefficient, logD

3.500

Water Solubility, LogSw

-4.02

Polar Surface Area

98.797

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

2.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G755-0731 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with G755-0731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G755-0731?
Check Price and Availability of G755-0731, 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 G755-0731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G755-0731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G755-0731
  • 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 G755-0731 available by request