S694-0664 Screening compound: 5-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole

S694-0664 Screening compound: 5-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole
S694-0664 Screening compound: 5-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S694-0664
5-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole

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

S694-0664

Molecular Formula

C17H22N4OS (C17 H22 N4 OS)

Compound Name

5-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-2,4-dimethyl-1,3-thiazole

IUPAC name

5-[3-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)pyrrolidine-1-carbonyl]-24-dimethyl-13-thiazole

SMILES

Cc1cnc(C2CC2)n1C(CC1)CN1C(c1c(C)nc(C)s1)=O

InChI

InChI=1S/C17H22N4OS/c1-10-8-18-16(13-4-5-13)21(10)14-6-7-20(9-14)17(22)15-11(2)19-12(3)23-15/h8,13-14H,4-7,9H2,1-3H3/t14-/m1/s1

InChI Key

NLPSZKMFWRAONC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD31996259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.45

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.394

Distribution Coefficient, logD

-1.427

Water Solubility, LogSw

-2.11

Polar Surface Area

39.396

Acid Dissociation Constant (pKa)

23.55

Base Dissociation Constant (pKb)

11.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

S694-0664 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S694-0664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S694-0664?
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What is the minimum amount of S694-0664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S694-0664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S694-0664
  • 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 S694-0664 available by request