SD12-1097 Screening compound: 4-benzyl-N-(3,4-dimethylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxotetrahydro-1(2H)-pyrazinecarboxamide

SD12-1097 Screening compound: 4-benzyl-N-(3,4-dimethylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxotetrahydro-1(2H)-pyrazinecarboxamide
SD12-1097 Screening compound: 4-benzyl-N-(3,4-dimethylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxotetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-1097
4-benzyl-N-(3,4-dimethylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxotetrahydro-1(2H)-pyrazinecarboxamide

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

SD12-1097

Molecular Formula

C24H27N5O3 (C24 H27 N5 O3)

Compound Name

4-benzyl-N-(3,4-dimethylphenyl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-oxotetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

4-benzyl-N-(34-dimethylphenyl)-2-[(3-methyl-124-oxadiazol-5-yl)methyl]-3-oxopiperazine-1-carboxamide

SMILES

Cc1noc(CC(C(N(Cc2ccccc2)CC2)=O)N2C(Nc2cc(C)c(C)cc2)=O)n1

InChI

InChI=1S/C24H27N5O3/c1-16-9-10-20(13-17(16)2)26-24(31)29-12-11-28(15-19-7-5-4-6-8-19)23(30)21(29)14-22-25-18(3)27-32-22/h4-10,13,21H,11-12,14-15H2,1-3H3,(H,26,31)/t21-/m0/s1

InChI Key

VUVHXIMMTVGSTJ-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.546

Distribution Coefficient, logD

3.546

Water Solubility, LogSw

-3.60

Polar Surface Area

72.560

Acid Dissociation Constant (pKa)

14.45

Base Dissociation Constant (pKb)

0.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

SD12-1097 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 SD12-1097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-1097?
Check Price and Availability of SD12-1097, 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 SD12-1097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-1097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-1097
  • 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 SD12-1097 available by request