3802-0875 Screening compound: 6-[(4-methoxy-6-methylpyrimidin-2-yl)oxy]pyridazin-3-yl 4-methylbenzene-1-sulfonate

3802-0875 Screening compound: 6-[(4-methoxy-6-methylpyrimidin-2-yl)oxy]pyridazin-3-yl 4-methylbenzene-1-sulfonate
3802-0875 Screening compound: 6-[(4-methoxy-6-methylpyrimidin-2-yl)oxy]pyridazin-3-yl 4-methylbenzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3802-0875
6-[(4-methoxy-6-methylpyrimidin-2-yl)oxy]pyridazin-3-yl 4-methylbenzene-1-sulfonate

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

3802-0875

Molecular Formula

C17H16N4O5S (C17 H16 N4 O5 S)

Compound Name

6-[(4-methoxy-6-methylpyrimidin-2-yl)oxy]pyridazin-3-yl 4-methylbenzene-1-sulfonate

IUPAC name

6-[(4-methoxy-6-methylpyrimidin-2-yl)oxy]pyridazin-3-yl 4-methylbenzene-1-sulfonate

SMILES

Cc(cc1)ccc1S(Oc(cc1)nnc1Oc1nc(OC)cc(C)n1)(=O)=O

InChI

InChI=1S/C17H16N4O5S/c1-11-4-6-13(7-5-11)27(22,23)26-15-9-8-14(20-21-15)25-17-18-12(2)10-16(19-17)24-3/h4-10H,1-3H3

InChI Key

VMIQDRGKVRLPHJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02855667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.723

Distribution Coefficient, logD

2.723

Water Solubility, LogSw

-3.11

Polar Surface Area

89.914

Acid Dissociation Constant (pKa)

28.13

Base Dissociation Constant (pKb)

2.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

3802-0875 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3802-0875 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3802-0875?
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What is the minimum amount of 3802-0875 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3802-0875
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3802-0875
  • 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 3802-0875 available by request