S893-1023 Screening compound: N~1~-(3-methoxybenzyl)-2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide

S893-1023 Screening compound: N~1~-(3-methoxybenzyl)-2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide
S893-1023 Screening compound: N~1~-(3-methoxybenzyl)-2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S893-1023
N~1~-(3-methoxybenzyl)-2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide

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

S893-1023

Molecular Formula

C22H30N4O4 (C22 H30 N4 O4)

Compound Name

N~1~-(3-methoxybenzyl)-2-[1-(2-methoxyethyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl]-1-pyrrolidinecarboxamide

IUPAC name

2-[1-(2-methoxyethyl)-1H4H6H7H-pyrano[43-c]pyrazol-3-yl]-N-[(3-methoxyphenyl)methyl]pyrrolidine-1-carboxamide

SMILES

COCCn1nc(C(CCC2)N2C(NCc2cc(OC)ccc2)=O)c2c1CCOC2

InChI

InChI=1S/C22H30N4O4/c1-28-12-10-26-19-8-11-30-15-18(19)21(24-26)20-7-4-9-25(20)22(27)23-14-16-5-3-6-17(13-16)29-2/h3,5-6,13,20H,4,7-12,14-15H2,1-2H3,(H,23,27)/t20-/m0/s1

InChI Key

ACFQTXHQZMKYKS-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.694

Distribution Coefficient, logD

1.694

Water Solubility, LogSw

-1.91

Polar Surface Area

65.742

Acid Dissociation Constant (pKa)

15.51

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

S893-1023 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S893-1023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S893-1023?
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What is the minimum amount of S893-1023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S893-1023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S893-1023
  • 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 S893-1023 available by request