G072-1557 Screening compound: 2-fluoro-N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide

G072-1557 Screening compound: 2-fluoro-N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide
G072-1557 Screening compound: 2-fluoro-N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G072-1557
2-fluoro-N~1~-(2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl]sulfanyl}phenyl)benzamide

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

G072-1557

Molecular Formula

C24H20FN3O2S2 (C24 H20 FN3 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)Nc(cccc1)c1SCC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C24H20FN3O2S2/c25-17-8-2-1-7-16(17)23(30)27-18-9-3-5-11-20(18)31-14-15-13-22(29)28-19-10-4-6-12-21(19)32-24(28)26-15/h1-3,5,7-9,11,13H,4,6,10,12,14H2,(H,27,30)

InChI Key

SRIONWFCJNTVRH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14980156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.052

Distribution Coefficient, logD

4.050

Water Solubility, LogSw

-4.30

Polar Surface Area

48.497

Acid Dissociation Constant (pKa)

9.98

Base Dissociation Constant (pKb)

-1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with G072-1557 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of G072-1557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G072-1557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G072-1557
  • 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 G072-1557 available by request