S636-6166 Screening compound: 2-(2-methylpropyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

S636-6166 Screening compound: 2-(2-methylpropyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one
S636-6166 Screening compound: 2-(2-methylpropyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S636-6166
2-(2-methylpropyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

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

S636-6166

Molecular Formula

C10H18N4O (C10 H18 N4 O)

Compound Name

2-(2-methylpropyl)-2H,3H,5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-d][1,4]diazepin-3-one

IUPAC name

2-(2-methylpropyl)-2H3H5H6H7H8H9H-[124]triazolo[43-d][14]diazepin-3-one

SMILES

CC(C)CN1N=C(CCNCC2)N2C1=O

InChI

InChI=1S/C10H18N4O/c1-8(2)7-14-10(15)13-6-5-11-4-3-9(13)12-14/h8,11H,3-7H2,1-2H3

InChI Key

CLANKANNCSQEIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30466218

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

210.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.582

Distribution Coefficient, logD

-2.353

Water Solubility, LogSw

-0.95

Polar Surface Area

45.748

Acid Dissociation Constant (pKa)

22.08

Base Dissociation Constant (pKb)

10.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

80.00

References: we are preparing a list of scientific research reports with S636-6166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S636-6166?
Check Price and Availability of S636-6166, 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 S636-6166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S636-6166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S636-6166
  • 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 S636-6166 available by request