G072-2480 Screening compound: (2E)-N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide

G072-2480 Screening compound: (2E)-N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide
G072-2480 Screening compound: (2E)-N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2480
(2E)-N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide

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

G072-2480

Molecular Formula

C19H15N5O3S2 (C19 H15 N5 O3 S2)

Compound Name

(2E)-N-{5-[({2-methyl-7-oxo-7H-[1,2]oxazolo[2,3-a]pyrimidin-5-yl}methyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{5-[({2-methyl-7-oxo-7H-[12]oxazolo[23-a]pyrimidin-5-yl}methyl)sulfanyl]-134-thiadiazol-2-yl}-3-phenylprop-2-enamide

SMILES

CC(ON12)=CC2=NC(CSc2nnc(NC(/C=C/c3ccccc3)=O)s2)=CC1=O

InChI

InChI=1S/C19H15N5O3S2/c1-12-9-15-20-14(10-17(26)24(15)27-12)11-28-19-23-22-18(29-19)21-16(25)8-7-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,21,22,25)

InChI Key

WEPATMKIUCZRIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27209455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.318

Water Solubility, LogSw

-3.60

Polar Surface Area

84.214

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

G072-2480 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G072-2480 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2480?
Check Price and Availability of G072-2480, 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 G072-2480 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2480
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2480
  • 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 G072-2480 available by request