C679-5937 Screening compound: N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-furamide

C679-5937 Screening compound: N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-furamide
C679-5937 Screening compound: N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-furamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C679-5937
N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-furamide

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

C679-5937

Molecular Formula

C22H19N3O4S (C22 H19 N3 O4 S)

Compound Name

N-{3-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-furamide

IUPAC name

N-[3-({13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methoxy)phenyl]furan-2-carboxamide

SMILES

O=C(c1ccco1)Nc1cccc(OCC(N=C2SC(CCCC3)=C3N22)=CC2=O)c1

InChI

InChI=1S/C22H19N3O4S/c26-20-12-15(24-22-25(20)17-7-1-2-9-19(17)30-22)13-29-16-6-3-5-14(11-16)23-21(27)18-8-4-10-28-18/h3-6,8,10-12H,1-2,7,9,13H2,(H,23,27)

InChI Key

WBBHULSFEASPLB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.013

Distribution Coefficient, logD

3.013

Water Solubility, LogSw

-3.49

Polar Surface Area

65.272

Acid Dissociation Constant (pKa)

10.94

Base Dissociation Constant (pKb)

-0.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

References: we are preparing a list of scientific research reports with C679-5937 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C679-5937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C679-5937
  • 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 C679-5937 available by request