S639-1772 Screening compound: N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide

S639-1772 Screening compound: N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide
S639-1772 Screening compound: N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S639-1772
N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide

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

S639-1772

Molecular Formula

C18H31N5O2 (C18 H31 N5 O2)

Compound Name

N-{4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl}-1-ethyl-1H-pyrazole-3-carboxamide

IUPAC name

N-[(3S4R)-4-[(dimethylamino)methyl]-1-(oxan-4-yl)pyrrolidin-3-yl]-1-ethyl-1H-pyrazole-3-carboxamide

SMILES

CCn(cc1)nc1C(N[C@@H](C1)[C@@H](CN(C)C)CN1C1CCOCC1)=O

InChI

InChI=1S/C18H31N5O2/c1-4-23-8-5-16(20-23)18(24)19-17-13-22(12-14(17)11-21(2)3)15-6-9-25-10-7-15/h5,8,14-15,17H,4,6-7,9-13H2,1-3H3,(H,19,24)/t14-,17-/m0/s1

InChI Key

IBZFAWXBVWZNRD-YOEHRIQHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.079

Distribution Coefficient, logD

-2.453

Water Solubility, LogSw

-1.65

Polar Surface Area

54.274

Acid Dissociation Constant (pKa)

14.98

Base Dissociation Constant (pKb)

9.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

77.78

S639-1772 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S639-1772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S639-1772?
Check Price and Availability of S639-1772, 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 S639-1772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S639-1772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S639-1772
  • 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 S639-1772 available by request