S637-3271 Screening compound: N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine

S637-3271 Screening compound: N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine
S637-3271 Screening compound: N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-3271
N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine

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

S637-3271

Molecular Formula

C15H22N4O (C15 H22 N4 O)

Compound Name

N,3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-7-amine

IUPAC name

N3-dimethyl-N-[(5-methylfuran-2-yl)methyl]-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-amine

SMILES

Cc1ccc(CN(C)C(CC2)CCn3c2nnc3C)o1

InChI

InChI=1S/C15H22N4O/c1-11-4-6-14(20-11)10-18(3)13-5-7-15-17-16-12(2)19(15)9-8-13/h4,6,13H,5,7-10H2,1-3H3/t13-/m0/s1

InChI Key

XXPDEMRQGXFGSR-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29017510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

274.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.309

Distribution Coefficient, logD

-0.951

Water Solubility, LogSw

-1.76

Polar Surface Area

36.170

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S637-3271 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with S637-3271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-3271?
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What is the minimum amount of S637-3271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-3271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-3271
  • 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 S637-3271 available by request