G808-0677 Screening compound: N~2~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-thiophenecarboxamide

G808-0677 Screening compound: N~2~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-thiophenecarboxamide
G808-0677 Screening compound: N~2~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G808-0677
N~2~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}-2-thiophenecarboxamide

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

G808-0677

Molecular Formula

C23H21N3O3S2 (C23 H21 N3 O3 S2)

Compound Name

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

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]thiophene-2-carboxamide

SMILES

Cc(cc1)cc(NC(c2cccs2)=O)c1OCC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C23H21N3O3S2/c1-14-8-9-18(16(11-14)25-22(28)20-7-4-10-30-20)29-13-15-12-21(27)26-17-5-2-3-6-19(17)31-23(26)24-15/h4,7-12H,2-3,5-6,13H2,1H3,(H,25,28)

InChI Key

NPGSDZJJZVYRLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.806

Distribution Coefficient, logD

3.806

Water Solubility, LogSw

-3.92

Polar Surface Area

57.101

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

G808-0677 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 G808-0677 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0677?
Check Price and Availability of G808-0677, 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 G808-0677 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0677
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0677
  • 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 G808-0677 available by request