H025-3177C Screening compound: 7-methyl-2-(methylamino)-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7-ium

H025-3177C Screening compound: 7-methyl-2-(methylamino)-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7-ium
H025-3177C Screening compound: 7-methyl-2-(methylamino)-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3177C
7-methyl-2-(methylamino)-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7-ium

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

H025-3177C

Molecular Formula

C17H16N5O2S (C17 H16 N5 O2 S)

Compound Name

7-methyl-2-(methylamino)-3-(phenylsulfonyl)pyrazolo[1,5-a]pyrido[3,4-e]pyrimidin-7-ium

IUPAC name

5-(benzenesulfonyl)-11-methyl-4-(methylamino)-23711-tetraazatricyclo[7.4.0.0^{26}]trideca-1(9)3571012-hexaen-11-ium

SMILES

CNc(c(S(c1ccccc1)(=O)=O)c1nc2)nn1c1c2c[n+](C)cc1

InChI

InChI=1S/C17H16N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-10-12-11-21(2)9-8-14(12)22(17)20-16/h3-11H,1-2H3,(H,18,20)/q+1

InChI Key

ULGKHICEESIUPD-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

Cl-

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.346

Distribution Coefficient, logD

1.346

Water Solubility, LogSw

-2.26

Polar Surface Area

64.043

Acid Dissociation Constant (pKa)

19.52

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

H025-3177C 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 H025-3177C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3177C?
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What is the minimum amount of H025-3177C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3177C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3177C
  • 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 H025-3177C available by request