H025-3076C Screening compound: N-{3-[(3-chlorophenyl)sulfonyl]-6-[(dimethylamino)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}-N-methylamine

H025-3076C Screening compound: N-{3-[(3-chlorophenyl)sulfonyl]-6-[(dimethylamino)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}-N-methylamine
H025-3076C Screening compound: N-{3-[(3-chlorophenyl)sulfonyl]-6-[(dimethylamino)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}-N-methylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound H025-3076C
N-{3-[(3-chlorophenyl)sulfonyl]-6-[(dimethylamino)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}-N-methylamine

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

H025-3076C

Molecular Formula

C18H22ClN5O2S (C18 H22 ClN5 O2 S)

Compound Name

N-{3-[(3-chlorophenyl)sulfonyl]-6-[(dimethylamino)methyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-2-yl}-N-methylamine

IUPAC name

3-(3-chlorobenzenesulfonyl)-6-[(dimethylamino)methyl]-N57-trimethylpyrazolo[15-a]pyrimidin-2-amine

SMILES

Cc(n1nc2NC)c(CN(C)C)c(C)nc1c2S(c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C18H22ClN5O2S/c1-11-15(10-23(4)5)12(2)24-18(21-11)16(17(20-3)22-24)27(25,26)14-8-6-7-13(19)9-14/h6-9H,10H2,1-5H3,(H,20,22)

InChI Key

AQJIPWNVOHSUOW-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

407.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.956

Distribution Coefficient, logD

0.896

Water Solubility, LogSw

-2.99

Polar Surface Area

65.223

Acid Dissociation Constant (pKa)

18.94

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

H025-3076C in Drug Discovery

Included in Screening Libraries

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 H025-3076C chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound H025-3076C?
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What is the minimum amount of H025-3076C you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for H025-3076C
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for H025-3076C
  • 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 H025-3076C available by request