SA95-0115 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidin-1-yl)ethan-1-one

SA95-0115 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidin-1-yl)ethan-1-one
SA95-0115 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SA95-0115
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidin-1-yl)ethan-1-one

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

SA95-0115

Molecular Formula

C21H26N6O (C21 H26 N6 O)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-(2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-(35-dimethyl-1H-pyrazol-1-yl)-1-(2-{5-methyl-1-[(pyridin-4-yl)methyl]-1H-imidazol-2-yl}pyrrolidin-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(CCC1)C1c1ncc(C)n1Cc1ccncc1)=O

InChI

InChI=1S/C21H26N6O/c1-15-11-16(2)27(24-15)14-20(28)25-10-4-5-19(25)21-23-12-17(3)26(21)13-18-6-8-22-9-7-18/h6-9,11-12,19H,4-5,10,13-14H2,1-3H3/t19-/m0/s1

InChI Key

VAEAFCUHJGYKGZ-IBGZPJMESA-N

MDL Number (MFCD)

MFCD32244585

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.531

Distribution Coefficient, logD

0.414

Water Solubility, LogSw

-0.91

Polar Surface Area

50.768

Acid Dissociation Constant (pKa)

24.35

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

SA95-0115 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA95-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA95-0115?
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What is the minimum amount of SA95-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA95-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA95-0115
  • 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 SA95-0115 available by request