S836-4418 Screening compound: 4-(HYDROXYMETHYL)-1-(5-METHOXY-1H-INDOLE-2-CARBONYL)-N-METHYLPYRROLIDINE-3-CARBOXAMIDE

S836-4418 Screening compound: 4-(HYDROXYMETHYL)-1-(5-METHOXY-1H-INDOLE-2-CARBONYL)-N-METHYLPYRROLIDINE-3-CARBOXAMIDE
S836-4418 Screening compound: 4-(HYDROXYMETHYL)-1-(5-METHOXY-1H-INDOLE-2-CARBONYL)-N-METHYLPYRROLIDINE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-4418
4-(HYDROXYMETHYL)-1-(5-METHOXY-1H-INDOLE-2-CARBONYL)-N-METHYLPYRROLIDINE-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

S836-4418

Molecular Formula

C17H21N3O4 (C17 H21 N3 O4)

Compound Name

4-(HYDROXYMETHYL)-1-(5-METHOXY-1H-INDOLE-2-CARBONYL)-N-METHYLPYRROLIDINE-3-CARBOXAMIDE

IUPAC name

(3S4S)-4-(hydroxymethyl)-1-(5-methoxy-1H-indole-2-carbonyl)-N-methylpyrrolidine-3-carboxamide

SMILES

CNC([C@@H](C1)[C@@H](CO)CN1C(c1cc(cc(cc2)OC)c2[nH]1)=O)=O

InChI

InChI=1S/C17H21N3O4/c1-18-16(22)13-8-20(7-11(13)9-21)17(23)15-6-10-5-12(24-2)3-4-14(10)19-15/h3-6,11,13,19,21H,7-9H2,1-2H3,(H,18,22)/t11-,13+/m0/s1

InChI Key

KZBHLXFYXRGYFJ-WCQYABFASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.594

Distribution Coefficient, logD

0.594

Water Solubility, LogSw

-2.23

Polar Surface Area

75.963

Acid Dissociation Constant (pKa)

14.43

Base Dissociation Constant (pKb)

0.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.18

S836-4418 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S836-4418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-4418?
Check Price and Availability of S836-4418, 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 S836-4418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-4418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-4418
  • 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 S836-4418 available by request