H025-0676B Screening compound: N-methyl-N-[3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]amine

H025-0676B Screening compound: N-methyl-N-[3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]amine
H025-0676B Screening compound: N-methyl-N-[3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-0676B
N-methyl-N-[3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]amine

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

H025-0676B

Molecular Formula

C17H18N4O2S (C17 H18 N4 O2 S)

Compound Name

N-methyl-N-[3-(phenylsulfonyl)-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-2-yl]amine

IUPAC name

3-(benzenesulfonyl)-N-methyl-5H6H7H8H-pyrazolo[32-b]quinazolin-2-amine

SMILES

CNc1nn(cc(CCCC2)c2n2)c2c1S(c1ccccc1)(=O)=O

InChI

InChI=1S/C17H18N4O2S/c1-18-16-15(24(22,23)13-8-3-2-4-9-13)17-19-14-10-6-5-7-12(14)11-21(17)20-16/h2-4,8-9,11H,5-7,10H2,1H3,(H,18,20)

InChI Key

WJRPDVXQPKIFPL-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.821

Distribution Coefficient, logD

1.821

Water Solubility, LogSw

-2.38

Polar Surface Area

62.382

Acid Dissociation Constant (pKa)

18.06

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.41

H025-0676B in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with H025-0676B chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-0676B?
Check Price and Availability of H025-0676B, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of H025-0676B you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-0676B
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-0676B
  • 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 H025-0676B available by request