G265-0641 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-fluorobenzoate

G265-0641 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-fluorobenzoate
G265-0641 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G265-0641
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 2-fluorobenzoate

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

G265-0641

Molecular Formula

C18H15FN2O3S (C18 H15 FN2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c(cccc1)c1F)OCC(N=C1SC(CCCC2)=C2N11)=CC1=O

InChI

InChI=1S/C18H15FN2O3S/c19-13-6-2-1-5-12(13)17(23)24-10-11-9-16(22)21-14-7-3-4-8-15(14)25-18(21)20-11/h1-2,5-6,9H,3-4,7-8,10H2

InChI Key

SGPNXESPHOVTMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14991495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.51

Polar Surface Area

47.233

Acid Dissociation Constant (pKa)

27.84

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G265-0641 in Drug Discovery

Included in Screening Libraries

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

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with G265-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G265-0641?
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What is the minimum amount of G265-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G265-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G265-0641
  • 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 G265-0641 available by request