S694-1032 Screening compound: 3-{1-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5-methyl-1H-imidazol-2-yl}pyridine

S694-1032 Screening compound: 3-{1-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5-methyl-1H-imidazol-2-yl}pyridine
S694-1032 Screening compound: 3-{1-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5-methyl-1H-imidazol-2-yl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-1032
3-{1-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5-methyl-1H-imidazol-2-yl}pyridine

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

S694-1032

Molecular Formula

C19H22N6O (C19 H22 N6 O)

Compound Name

3-{1-[1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5-methyl-1H-imidazol-2-yl}pyridine

IUPAC name

3-{1-[1-(13-dimethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-yl]-5-methyl-1H-imidazol-2-yl}pyridine

SMILES

Cc1cnc(-c2cnccc2)n1C(CC1)CN1C(c1cc(C)nn1C)=O

InChI

InChI=1S/C19H22N6O/c1-13-9-17(23(3)22-13)19(26)24-8-6-16(12-24)25-14(2)10-21-18(25)15-5-4-7-20-11-15/h4-5,7,9-11,16H,6,8,12H2,1-3H3/t16-/m1/s1

InChI Key

VXIQHDPFXZJIGE-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD31985878

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.499

Distribution Coefficient, logD

-0.422

Water Solubility, LogSw

-0.64

Polar Surface Area

51.324

Acid Dissociation Constant (pKa)

20.88

Base Dissociation Constant (pKb)

8.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

S694-1032 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S694-1032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-1032?
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What is the minimum amount of S694-1032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-1032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-1032
  • 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 S694-1032 available by request