G808-0713 Screening compound: 4-ethoxy-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide

G808-0713 Screening compound: 4-ethoxy-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide
G808-0713 Screening compound: 4-ethoxy-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G808-0713
4-ethoxy-N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]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

G808-0713

Molecular Formula

C27H27N3O4S (C27 H27 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1C(Nc(cc(C)cc1)c1OCC(N=C1SC(CCCC2)=C2N11)=CC1=O)=O

InChI

InChI=1S/C27H27N3O4S/c1-3-33-20-11-9-18(10-12-20)26(32)29-21-14-17(2)8-13-23(21)34-16-19-15-25(31)30-22-6-4-5-7-24(22)35-27(30)28-19/h8-15H,3-7,16H2,1-2H3,(H,29,32)

InChI Key

UZJLJMFZXGLFFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.263

Distribution Coefficient, logD

4.262

Water Solubility, LogSw

-4.27

Polar Surface Area

63.206

Acid Dissociation Constant (pKa)

10.24

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

G808-0713 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 G808-0713 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0713?
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What is the minimum amount of G808-0713 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0713
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0713
  • 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 G808-0713 available by request