G265-0678 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate

G265-0678 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate
G265-0678 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G265-0678
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate

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

G265-0678

Molecular Formula

C21H22N2O3S (C21 H22 N2 O3 S)

Compound Name

(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-phenylbutanoate

IUPAC name

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

SMILES

CCC(C(OCC(N=C1SC(CCCC2)=C2N11)=CC1=O)=O)c1ccccc1

InChI

InChI=1S/C21H22N2O3S/c1-2-16(14-8-4-3-5-9-14)20(25)26-13-15-12-19(24)23-17-10-6-7-11-18(17)27-21(23)22-15/h3-5,8-9,12,16H,2,6-7,10-11,13H2,1H3/t16-/m1/s1

InChI Key

SKSMJSIJUQEPHQ-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14991519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.719

Distribution Coefficient, logD

3.719

Water Solubility, LogSw

-4.02

Polar Surface Area

47.233

Acid Dissociation Constant (pKa)

17.77

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

G265-0678 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G265-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G265-0678?
Check Price and Availability of G265-0678, 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 G265-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G265-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G265-0678
  • 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 G265-0678 available by request