G357-2496 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(2-thienylcarbonyl)amino]benzoate

G357-2496 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(2-thienylcarbonyl)amino]benzoate
G357-2496 Screening compound: (4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(2-thienylcarbonyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G357-2496
(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-[(2-thienylcarbonyl)amino]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

G357-2496

Molecular Formula

C23H19N3O4S2 (C23 H19 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccs1)Nc(cc1)ccc1C(OCC(N=C1SC(CCCC2)=C2N11)=CC1=O)=O

InChI

InChI=1S/C23H19N3O4S2/c27-20-12-16(25-23-26(20)17-4-1-2-5-18(17)32-23)13-30-22(29)14-7-9-15(10-8-14)24-21(28)19-6-3-11-31-19/h3,6-12H,1-2,4-5,13H2,(H,24,28)

InChI Key

QOHHPLVKNYEJPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15002513

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.829

Distribution Coefficient, logD

3.829

Water Solubility, LogSw

-4.21

Polar Surface Area

71.342

Acid Dissociation Constant (pKa)

10.42

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

References: we are preparing a list of scientific research reports with G357-2496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G357-2496?
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What is the minimum amount of G357-2496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G357-2496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G357-2496
  • 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 G357-2496 available by request