S694-1616 Screening compound: 1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2,5-dimethyl-1H-imidazole

S694-1616 Screening compound: 1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2,5-dimethyl-1H-imidazole
S694-1616 Screening compound: 1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2,5-dimethyl-1H-imidazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1616
1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2,5-dimethyl-1H-imidazole

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

S694-1616

Molecular Formula

C15H21N5O (C15 H21 N5 O)

Compound Name

1-[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2,5-dimethyl-1H-imidazole

IUPAC name

1-[1-(15-dimethyl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-25-dimethyl-1H-imidazole

SMILES

Cc1cc(C(N(CC2)CC2n2c(C)ncc2C)=O)nn1C

InChI

InChI=1S/C15H21N5O/c1-10-7-14(17-18(10)4)15(21)19-6-5-13(9-19)20-11(2)8-16-12(20)3/h7-8,13H,5-6,9H2,1-4H3/t13-/m1/s1

InChI Key

VAVKATHKYCZECR-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD31964258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

287.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.243

Distribution Coefficient, logD

-1.711

Water Solubility, LogSw

-1.10

Polar Surface Area

44.019

Acid Dissociation Constant (pKa)

22.39

Base Dissociation Constant (pKb)

9.35

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

S694-1616 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with S694-1616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1616?
Check Price and Availability of S694-1616, 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 S694-1616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1616
  • 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 S694-1616 available by request