H025-3176C Screening compound: 7-methyl-2-(methylamino)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-4-ium-4-olate

H025-3176C Screening compound: 7-methyl-2-(methylamino)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-4-ium-4-olate
H025-3176C Screening compound: 7-methyl-2-(methylamino)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-4-ium-4-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3176C
7-methyl-2-(methylamino)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-4-ium-4-olate

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

H025-3176C

Molecular Formula

C17H19N5O3S (C17 H19 N5 O3 S)

Compound Name

7-methyl-2-(methylamino)-3-(phenylsulfonyl)-6,7,8,9-tetrahydropyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-4-ium-4-olate

IUPAC name

5-(benzenesulfonyl)-11-methyl-4-(methylamino)-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)357-tetraen-7-ium-7-olate

SMILES

CNc(c(S(c1ccccc1)(=O)=O)c12)nn2c(CCN(C)C2)c2c[n+]1[O-]

InChI

InChI=1S/C17H19N5O3S/c1-18-16-15(26(24,25)13-6-4-3-5-7-13)17-21(23)11-12-10-20(2)9-8-14(12)22(17)19-16/h3-7,11H,8-10H2,1-2H3,(H,18,19)

InChI Key

WDQRPZBRYZETOB-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

373.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.743

Distribution Coefficient, logD

0.736

Water Solubility, LogSw

-2.33

Polar Surface Area

75.515

Acid Dissociation Constant (pKa)

16.78

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

References: we are preparing a list of scientific research reports with H025-3176C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3176C?
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What is the minimum amount of H025-3176C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3176C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3176C
  • 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 H025-3176C available by request