G357-2491 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-(acetylamino)benzoate

G357-2491 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-(acetylamino)benzoate
G357-2491 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-(acetylamino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-2491
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-(acetylamino)benzoate

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

G357-2491

Molecular Formula

C20H19N3O4S (C20 H19 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc(cc1)ccc1C(OCC(N=C1SC(CCCC2)=C2N11)=CC1=O)=O)=O

InChI

InChI=1S/C20H19N3O4S/c1-12(24)21-14-8-6-13(7-9-14)19(26)27-11-15-10-18(25)23-16-4-2-3-5-17(16)28-20(23)22-15/h6-10H,2-5,11H2,1H3,(H,21,24)

InChI Key

VJMHYXBSMBFOQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.287

Distribution Coefficient, logD

2.287

Water Solubility, LogSw

-2.80

Polar Surface Area

70.494

Acid Dissociation Constant (pKa)

11.28

Base Dissociation Constant (pKb)

-1.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with G357-2491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-2491?
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What is the minimum amount of G357-2491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-2491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-2491
  • 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 G357-2491 available by request