SC45-0691 Screening compound: 2,4-dimethoxy-N~1~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]benzamide

SC45-0691 Screening compound: 2,4-dimethoxy-N~1~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]benzamide
SC45-0691 Screening compound: 2,4-dimethoxy-N~1~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-0691
2,4-dimethoxy-N~1~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]benzamide

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

SC45-0691

Molecular Formula

C16H19N5O4 (C16 H19 N5 O4)

Compound Name

2,4-dimethoxy-N~1~-[(7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]benzamide

IUPAC name

24-dimethoxy-N-({7-methyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)benzamide

SMILES

CC1n2nnc(CNC(c(ccc(OC)c3)c3OC)=O)c2CNC1=O

InChI

InChI=1S/C16H19N5O4/c1-9-15(22)18-8-13-12(19-20-21(9)13)7-17-16(23)11-5-4-10(24-2)6-14(11)25-3/h4-6,9H,7-8H2,1-3H3,(H,17,23)(H,18,22)/t9-/m0/s1

InChI Key

OALQVIPOLHUBCG-VIFPVBQESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.263

Distribution Coefficient, logD

0.263

Water Solubility, LogSw

-2.27

Polar Surface Area

91.183

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with SC45-0691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-0691?
Check Price and Availability of SC45-0691, 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 SC45-0691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-0691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-0691
  • 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 SC45-0691 available by request