S064-0739 Screening compound: N~2~-[1-(3-methoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N~2~,3-dimethyl-2-thiophenecarboxamide

S064-0739 Screening compound: N~2~-[1-(3-methoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N~2~,3-dimethyl-2-thiophenecarboxamide
S064-0739 Screening compound: N~2~-[1-(3-methoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N~2~,3-dimethyl-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S064-0739
N~2~-[1-(3-methoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N~2~,3-dimethyl-2-thiophenecarboxamide

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

S064-0739

Molecular Formula

C16H20N4O2S (C16 H20 N4 O2 S)

Compound Name

N~2~-[1-(3-methoxy-2-pyrazinyl)tetrahydro-1H-pyrrol-3-yl]-N~2~,3-dimethyl-2-thiophenecarboxamide

IUPAC name

N-[1-(3-methoxypyrazin-2-yl)pyrrolidin-3-yl]-N3-dimethylthiophene-2-carboxamide

SMILES

Cc1c(C(N(C)C(CC2)CN2c2nccnc2OC)=O)scc1

InChI

InChI=1S/C16H20N4O2S/c1-11-5-9-23-13(11)16(21)19(2)12-4-8-20(10-12)14-15(22-3)18-7-6-17-14/h5-7,9,12H,4,8,10H2,1-3H3/t12-/m0/s1

InChI Key

AAMGFQZDNLBCST-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD29031101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.393

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-2.35

Polar Surface Area

46.349

Acid Dissociation Constant (pKa)

23.30

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

S064-0739 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with S064-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S064-0739?
Check Price and Availability of S064-0739, 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 S064-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S064-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S064-0739
  • 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 S064-0739 available by request