H025-3066C Screening compound: [3-[(3-chloro-4-ethoxyphenyl)sulfonyl]-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine

H025-3066C Screening compound: [3-[(3-chloro-4-ethoxyphenyl)sulfonyl]-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine
H025-3066C Screening compound: [3-[(3-chloro-4-ethoxyphenyl)sulfonyl]-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3066C
[3-[(3-chloro-4-ethoxyphenyl)sulfonyl]-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine

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

H025-3066C

Molecular Formula

C18H21ClN4O3S2 (C18 H21 ClN4 O3 S2)

Compound Name

[3-[(3-chloro-4-ethoxyphenyl)sulfonyl]-5,7-dimethyl-2-(methylsulfanyl)pyrazolo[1,5-a]pyrimidin-6-yl]methanamine

IUPAC name

1-[3-(3-chloro-4-ethoxybenzenesulfonyl)-57-dimethyl-2-(methylsulfanyl)pyrazolo[15-a]pyrimidin-6-yl]methanamine

SMILES

CCOc(ccc(S(c1c2nc(C)c(CN)c(C)n2nc1SC)(=O)=O)c1)c1Cl

InChI

InChI=1S/C18H21ClN4O3S2/c1-5-26-15-7-6-12(8-14(15)19)28(24,25)16-17-21-10(2)13(9-20)11(3)23(17)22-18(16)27-4/h6-8H,5,9,20H2,1-4H3

InChI Key

APKQCROPJZEYLY-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

440.97

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.773

Distribution Coefficient, logD

0.241

Water Solubility, LogSw

-2.84

Polar Surface Area

79.042

Acid Dissociation Constant (pKa)

24.14

Base Dissociation Constant (pKb)

8.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

H025-3066C 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 H025-3066C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3066C?
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What is the minimum amount of H025-3066C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3066C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3066C
  • 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 H025-3066C available by request