G808-0681 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}propanamide

G808-0681 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}propanamide
G808-0681 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}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G808-0681
N~1~-{5-methyl-2-[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methoxy]phenyl}propanamide

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

G808-0681

Molecular Formula

C21H23N3O3S (C21 H23 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}propanamide

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]propanamide

SMILES

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

InChI

InChI=1S/C21H23N3O3S/c1-3-19(25)23-15-10-13(2)8-9-17(15)27-12-14-11-20(26)24-16-6-4-5-7-18(16)28-21(24)22-14/h8-11H,3-7,12H2,1-2H3,(H,23,25)

InChI Key

LTGPLPKRFUNZLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27162409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

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

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-2.99

Polar Surface Area

56.141

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

References: we are preparing a list of scientific research reports with G808-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G808-0681?
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What is the minimum amount of G808-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G808-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G808-0681
  • 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 G808-0681 available by request