G072-2349 Screening compound: N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide

G072-2349 Screening compound: N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide
G072-2349 Screening compound: N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-2349
N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide

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

G072-2349

Molecular Formula

C22H22N4O2S3 (C22 H22 N4 O2 S3)

Compound Name

N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}-1,3-benzothiazol-6-yl)butanamide

IUPAC name

N-{2-[({13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methyl)sulfanyl]-13-benzothiazol-6-yl}butanamide

SMILES

CCCC(Nc(cc1)cc2c1nc(SCC(N=C1SC(CCCC3)=C3N11)=CC1=O)s2)=O

InChI

InChI=1S/C22H22N4O2S3/c1-2-5-19(27)23-13-8-9-15-18(10-13)31-22(25-15)29-12-14-11-20(28)26-16-6-3-4-7-17(16)30-21(26)24-14/h8-11H,2-7,12H2,1H3,(H,23,27)

InChI Key

CKPUOVMIOIRINK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980453

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.461

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.38

Polar Surface Area

58.334

Acid Dissociation Constant (pKa)

11.57

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

G072-2349 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with G072-2349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G072-2349?
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What is the minimum amount of G072-2349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-2349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-2349
  • 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 G072-2349 available by request