8629-0051 Screening compound: 2-methyl-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

8629-0051 Screening compound: 2-methyl-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide
8629-0051 Screening compound: 2-methyl-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8629-0051
2-methyl-N~1~-(4-oxo-8-propoxy-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

8629-0051

Molecular Formula

C21H19N3O3S (C21 H19 N3 O3 S)

Compound Name

2-methyl-N~1~-(4-oxo-8-propoxy-4H-pyrimido[2,1-b][1,3]benzothiazol-3-yl)benzamide

IUPAC name

2-methyl-N-{13-oxo-5-propoxy-8-thia-110-diazatricyclo[7.4.0.0^{27}]trideca-2(7)35911-pentaen-12-yl}benzamide

SMILES

CCCOc(cc1)cc(SC2=NC=C3NC(c4c(C)cccc4)=O)c1N2C3=O

InChI

InChI=1S/C21H19N3O3S/c1-3-10-27-14-8-9-17-18(11-14)28-21-22-12-16(20(26)24(17)21)23-19(25)15-7-5-4-6-13(15)2/h4-9,11-12H,3,10H2,1-2H3,(H,23,25)

InChI Key

MUPXAVJLZFFGOF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09599201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.541

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.81

Polar Surface Area

56.494

Acid Dissociation Constant (pKa)

8.16

Base Dissociation Constant (pKb)

-5.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 8629-0051 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8629-0051?
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What is the minimum amount of 8629-0051 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8629-0051
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8629-0051
  • 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 8629-0051 available by request