S637-0408 Screening compound: N-{3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-2-(DIMETHYLAMINO)ACETAMIDE

S637-0408 Screening compound: N-{3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-2-(DIMETHYLAMINO)ACETAMIDE
S637-0408 Screening compound: N-{3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-2-(DIMETHYLAMINO)ACETAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S637-0408
N-{3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-2-(DIMETHYLAMINO)ACETAMIDE

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

S637-0408

Molecular Formula

C14H23N5O (C14 H23 N5 O)

Compound Name

N-{3-CYCLOPROPYL-5H,6H,7H,8H,9H-[1,2,4]TRIAZOLO[4,3-A]AZEPIN-7-YL}-2-(DIMETHYLAMINO)ACETAMIDE

IUPAC name

N-{3-cyclopropyl-5H6H7H8H9H-[124]triazolo[43-a]azepin-7-yl}-2-(dimethylamino)acetamide

SMILES

CN(C)CC(NC1CCn2c(C3CC3)nnc2CC1)=O

InChI

InChI=1S/C14H23N5O/c1-18(2)9-13(20)15-11-5-6-12-16-17-14(10-3-4-10)19(12)8-7-11/h10-11H,3-9H2,1-2H3,(H,15,20)/t11-/m0/s1

InChI Key

CAQWMCFJEMEBAH-NSHDSACASA-N

MDL Number (MFCD)

MFCD31961980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-0.030

Distribution Coefficient, logD

-1.269

Water Solubility, LogSw

-0.68

Polar Surface Area

53.678

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

8.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.57

S637-0408 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Fragment Library (4274 compounds)

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S637-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S637-0408?
Check Price and Availability of S637-0408, 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 S637-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S637-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S637-0408
  • 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 S637-0408 available by request