G072-2015 Screening compound: N-{2-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-ethylbutanamide

G072-2015 Screening compound: N-{2-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-ethylbutanamide
G072-2015 Screening compound: N-{2-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2015
N-{2-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-ethylbutanamide

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

G072-2015

Molecular Formula

C22H23N5O2S3 (C22 H23 N5 O2 S3)

Compound Name

N-{2-[({2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}-2-ethylbutanamide

IUPAC name

N-{2-[({2-cyclopropyl-5-oxo-5H-[134]thiadiazolo[32-a]pyrimidin-7-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}-2-ethylbutanamide

SMILES

CCC(CC)C(Nc(cc1)cc2c1nc(SCC(N=C1SC(C3CC3)=NN11)=CC1=O)s2)=O

InChI

InChI=1S/C22H23N5O2S3/c1-3-12(4-2)19(29)23-14-7-8-16-17(9-14)31-22(25-16)30-11-15-10-18(28)27-21(24-15)32-20(26-27)13-5-6-13/h7-10,12-13H,3-6,11H2,1-2H3,(H,23,29)

InChI Key

ABISBXZOFJLJEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980354

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.158

Distribution Coefficient, logD

5.155

Water Solubility, LogSw

-4.97

Polar Surface Area

70.967

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G072-2015 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system

References: we are preparing a list of scientific research reports with G072-2015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2015?
Check Price and Availability of G072-2015, 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 G072-2015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2015
  • 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 G072-2015 available by request