D358-0549 Screening compound: methyl 4,5-dimethoxy-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)carbonyl]amino}benzoate

D358-0549 Screening compound: methyl 4,5-dimethoxy-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)carbonyl]amino}benzoate
D358-0549 Screening compound: methyl 4,5-dimethoxy-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D358-0549
methyl 4,5-dimethoxy-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)carbonyl]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

D358-0549

Molecular Formula

C21H21N3O6S (C21 H21 N3 O6 S)

Compound Name

methyl 4,5-dimethoxy-2-{[(4-oxo-6,7,8,9-tetrahydro-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)carbonyl]amino}benzoate

IUPAC name

methyl 45-dimethoxy-2-{13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)911-triene-12-amido}benzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(C1=CN=C2SC(CCCC3)=C3N2C1=O)=O)=O

InChI

InChI=1S/C21H21N3O6S/c1-28-15-8-11(20(27)30-3)13(9-16(15)29-2)23-18(25)12-10-22-21-24(19(12)26)14-6-4-5-7-17(14)31-21/h8-10H,4-7H2,1-3H3,(H,23,25)

InChI Key

DVTNKONOPRPPAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09777438

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.911

Distribution Coefficient, logD

-2.818

Water Solubility, LogSw

-2.76

Polar Surface Area

84.452

Acid Dissociation Constant (pKa)

2.67

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with D358-0549 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D358-0549?
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What is the minimum amount of D358-0549 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D358-0549
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D358-0549
  • 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 D358-0549 available by request