SC45-1028 Screening compound: N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-phenethylurea

SC45-1028 Screening compound: N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-phenethylurea
SC45-1028 Screening compound: N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-phenethylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound SC45-1028
N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-phenethylurea

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

SC45-1028

Molecular Formula

C23H26N6O2 (C23 H26 N6 O2)

Compound Name

N-[(5-benzyl-7-methyl-6-oxo-4,5,6,7-tetrahydro[1,2,3]triazolo[1,5-a]pyrazin-3-yl)methyl]-N'-phenethylurea

IUPAC name

3-({5-benzyl-7-methyl-6-oxo-4H5H6H7H-[123]triazolo[15-a]pyrazin-3-yl}methyl)-1-(2-phenylethyl)urea

SMILES

CC1n2nnc(CNC(NCCc3ccccc3)=O)c2CN(Cc2ccccc2)C1=O

InChI

InChI=1S/C23H26N6O2/c1-17-22(30)28(15-19-10-6-3-7-11-19)16-21-20(26-27-29(17)21)14-25-23(31)24-13-12-18-8-4-2-5-9-18/h2-11,17H,12-16H2,1H3,(H2,24,25,31)/t17-/m0/s1

InChI Key

CRTZOMHFIFGWHC-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.282

Distribution Coefficient, logD

1.282

Water Solubility, LogSw

-1.98

Polar Surface Area

77.732

Acid Dissociation Constant (pKa)

15.17

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.43

SC45-1028 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SC45-1028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC45-1028?
Check Price and Availability of SC45-1028, 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 SC45-1028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC45-1028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC45-1028
  • 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 SC45-1028 available by request