G265-0654 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfanyl]acetate

G265-0654 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfanyl]acetate
G265-0654 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound G265-0654
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-[(4-chlorophenyl)sulfanyl]acetate

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

G265-0654

Molecular Formula

C19H17ClN2O3S2 (C19 H17 ClN2 O3 S2)

Compound Name

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

IUPAC name

{13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-trien-11-yl}methyl 2-[(4-chlorophenyl)sulfanyl]acetate

SMILES

O=C(CSc(cc1)ccc1Cl)OCC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C19H17ClN2O3S2/c20-12-5-7-14(8-6-12)26-11-18(24)25-10-13-9-17(23)22-15-3-1-2-4-16(15)27-19(22)21-13/h5-9H,1-4,10-11H2

InChI Key

HTOGRZIUSSEZCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14991508

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

3.803

Water Solubility, LogSw

-4.43

Polar Surface Area

46.638

Acid Dissociation Constant (pKa)

23.88

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

G265-0654 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with G265-0654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G265-0654?
Check Price and Availability of G265-0654, 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 G265-0654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G265-0654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G265-0654
  • 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 G265-0654 available by request