S637-3233 Screening compound: 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}furan-2-carboxamide

S637-3233 Screening compound: 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}furan-2-carboxamide
S637-3233 Screening compound: 5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-3233
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}furan-2-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

S637-3233

Molecular Formula

C20H25N5O3 (C20 H25 N5 O3)

Compound Name

5-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-N-{3-methyl-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-yl}furan-2-carboxamide

IUPAC name

5-[(35-dimethyl-12-oxazol-4-yl)methyl]-N-methyl-N-{3-methyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}furan-2-carboxamide

SMILES

Cc1noc(C)c1Cc1ccc(C(N(C)C(CC2)CCn3c2nnc3C)=O)o1

InChI

InChI=1S/C20H25N5O3/c1-12-17(13(2)28-23-12)11-16-6-7-18(27-16)20(26)24(4)15-5-8-19-22-21-14(3)25(19)10-9-15/h6-7,15H,5,8-11H2,1-4H3/t15-/m0/s1

InChI Key

YYHQUMFECBFVLQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29017507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.487

Distribution Coefficient, logD

1.485

Water Solubility, LogSw

-1.75

Polar Surface Area

70.929

Acid Dissociation Constant (pKa)

19.98

Base Dissociation Constant (pKb)

7.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

S637-3233 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)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S637-3233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-3233?
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What is the minimum amount of S637-3233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-3233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-3233
  • 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 S637-3233 available by request