S066-0037 Screening compound: 6-{[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrimidin-4-amine

S066-0037 Screening compound: 6-{[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrimidin-4-amine
S066-0037 Screening compound: 6-{[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrimidin-4-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S066-0037
6-{[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrimidin-4-amine

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

S066-0037

Molecular Formula

C19H21N5O2 (C19 H21 N5 O2)

Compound Name

6-{[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]oxy}-N,N-dimethylpyrimidin-4-amine

IUPAC name

6-{[1-(1H-indole-4-carbonyl)pyrrolidin-3-yl]oxy}-NN-dimethylpyrimidin-4-amine

SMILES

CN(C)c1cc(OC(CC2)CN2C(c2c(cc[nH]3)c3ccc2)=O)ncn1

InChI

InChI=1S/C19H21N5O2/c1-23(2)17-10-18(22-12-21-17)26-13-7-9-24(11-13)19(25)15-4-3-5-16-14(15)6-8-20-16/h3-6,8,10,12-13,20H,7,9,11H2,1-2H3/t13-/m1/s1

InChI Key

XKFVDEFNIUPZEU-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD27617530

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.277

Distribution Coefficient, logD

2.277

Water Solubility, LogSw

-3.01

Polar Surface Area

55.208

Acid Dissociation Constant (pKa)

17.81

Base Dissociation Constant (pKb)

3.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

S066-0037 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S066-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S066-0037?
Check Price and Availability of S066-0037, 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 S066-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S066-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S066-0037
  • 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 S066-0037 available by request