G072-2417 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2H-1,3-benzodioxole-5-carboxamide

G072-2417 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2H-1,3-benzodioxole-5-carboxamide
G072-2417 Screening compound: N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2417
N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-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

G072-2417

Molecular Formula

C23H16N4O5S2 (C23 H16 N4 O5 S2)

Compound Name

N-{2-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-{2-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}-2H-13-benzodioxole-5-carboxamide

SMILES

CC(ON12)=CC2=NC(CSc2nc(ccc(NC(c(cc3)cc4c3OCO4)=O)c3)c3s2)=CC1=O

InChI

InChI=1S/C23H16N4O5S2/c1-12-6-20-24-15(9-21(28)27(20)32-12)10-33-23-26-16-4-3-14(8-19(16)34-23)25-22(29)13-2-5-17-18(7-13)31-11-30-17/h2-9H,10-11H2,1H3,(H,25,29)

InChI Key

KMZKMPCGRZJXIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.54

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

3.734

Distribution Coefficient, logD

3.734

Water Solubility, LogSw

-4.05

Polar Surface Area

87.719

Acid Dissociation Constant (pKa)

11.17

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G072-2417 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with G072-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2417?
Check Price and Availability of G072-2417, 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 G072-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2417
  • 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 G072-2417 available by request