S836-1271 Screening compound: 4-(methoxymethyl)-1-(pyrazin-2-yl)-N-[2-(pyridin-2-yl)ethyl]pyrrolidine-3-carboxamide

S836-1271 Screening compound: 4-(methoxymethyl)-1-(pyrazin-2-yl)-N-[2-(pyridin-2-yl)ethyl]pyrrolidine-3-carboxamide
S836-1271 Screening compound: 4-(methoxymethyl)-1-(pyrazin-2-yl)-N-[2-(pyridin-2-yl)ethyl]pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-1271
4-(methoxymethyl)-1-(pyrazin-2-yl)-N-[2-(pyridin-2-yl)ethyl]pyrrolidine-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

S836-1271

Molecular Formula

C18H23N5O2 (C18 H23 N5 O2)

Compound Name

4-(methoxymethyl)-1-(pyrazin-2-yl)-N-[2-(pyridin-2-yl)ethyl]pyrrolidine-3-carboxamide

IUPAC name

(3S4S)-4-(methoxymethyl)-1-(pyrazin-2-yl)-N-[2-(pyridin-2-yl)ethyl]pyrrolidine-3-carboxamide

SMILES

COC[C@@H](CN(C1)c2nccnc2)[C@H]1C(NCCc1ncccc1)=O

InChI

InChI=1S/C18H23N5O2/c1-25-13-14-11-23(17-10-19-8-9-21-17)12-16(14)18(24)22-7-5-15-4-2-3-6-20-15/h2-4,6,8-10,14,16H,5,7,11-13H2,1H3,(H,22,24)/t14-,16+/m1/s1

InChI Key

AFPPSNNZUSAASV-ZBFHGGJFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.655

Distribution Coefficient, logD

0.650

Water Solubility, LogSw

-1.67

Polar Surface Area

64.175

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.44

S836-1271 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 S836-1271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-1271?
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What is the minimum amount of S836-1271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-1271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-1271
  • 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 S836-1271 available by request