8101-0105 Screening compound: 4-methoxy-N~1~-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

8101-0105 Screening compound: 4-methoxy-N~1~-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8101-0105 Screening compound: 4-methoxy-N~1~-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8101-0105
4-methoxy-N~1~-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

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

8101-0105

Molecular Formula

C18H13N3O3S (C18 H13 N3 O3 S)

Compound Name

4-methoxy-N~1~-(4-oxo-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

IUPAC name

4-methoxy-N-{13-oxo-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-246911-pentaen-12-yl}benzamide

SMILES

COc(cc1)ccc1C(NC1=CN=C2Sc(cccc3)c3N2C1=O)=O

InChI

InChI=1S/C18H13N3O3S/c1-24-12-8-6-11(7-9-12)16(22)20-13-10-19-18-21(17(13)23)14-4-2-3-5-15(14)25-18/h2-10H,1H3,(H,20,22)

InChI Key

BRIXTZHPVDOBGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09039335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.141

Distribution Coefficient, logD

2.131

Water Solubility, LogSw

-2.74

Polar Surface Area

56.620

Acid Dissociation Constant (pKa)

9.00

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with 8101-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8101-0105?
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What is the minimum amount of 8101-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8101-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8101-0105
  • 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 8101-0105 available by request