G808-0682 Screening compound: N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide

G808-0682 Screening compound: N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide
G808-0682 Screening compound: N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G808-0682
N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}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

G808-0682

Molecular Formula

C22H25N3O3S (C22 H25 N3 O3 S)

Compound Name

N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}butanamide

IUPAC name

N-[5-methyl-2-({13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methoxy)phenyl]butanamide

SMILES

CCCC(Nc(cc(C)cc1)c1OCC(N=C1SC(CCCC2)=C2N11)=CC1=O)=O

InChI

InChI=1S/C22H25N3O3S/c1-3-6-20(26)24-16-11-14(2)9-10-18(16)28-13-15-12-21(27)25-17-7-4-5-8-19(17)29-22(25)23-15/h9-12H,3-8,13H2,1-2H3,(H,24,26)

InChI Key

LSKDCQNOPUODJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162410

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.051

Distribution Coefficient, logD

3.050

Water Solubility, LogSw

-3.23

Polar Surface Area

56.141

Acid Dissociation Constant (pKa)

11.25

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

G808-0682 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with G808-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0682?
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What is the minimum amount of G808-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0682
  • 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 G808-0682 available by request