SD12-0306 Screening compound: 4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}tetrahydro-2(1H)-pyrazinone

SD12-0306 Screening compound: 4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}tetrahydro-2(1H)-pyrazinone
SD12-0306 Screening compound: 4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound SD12-0306
4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}tetrahydro-2(1H)-pyrazinone

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

SD12-0306

Molecular Formula

C18H18N6O3 (C18 H18 N6 O3)

Compound Name

4-[(1-methyl-1H-pyrrol-2-yl)carbonyl]-3-{[3-(4-pyridyl)-1,2,4-oxadiazol-5-yl]methyl}tetrahydro-2(1H)-pyrazinone

IUPAC name

4-(1-methyl-1H-pyrrole-2-carbonyl)-3-{[3-(pyridin-4-yl)-124-oxadiazol-5-yl]methyl}piperazin-2-one

SMILES

Cn1c(C(N(CCN2)C(Cc3nc(-c4ccncc4)no3)C2=O)=O)ccc1

InChI

InChI=1S/C18H18N6O3/c1-23-9-2-3-13(23)18(26)24-10-8-20-17(25)14(24)11-15-21-16(22-27-15)12-4-6-19-7-5-12/h2-7,9,14H,8,10-11H2,1H3,(H,20,25)/t14-/m0/s1

InChI Key

XCTYQKXLPBGKLQ-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.380

Distribution Coefficient, logD

1.380

Water Solubility, LogSw

-1.36

Polar Surface Area

84.354

Acid Dissociation Constant (pKa)

15.10

Base Dissociation Constant (pKb)

3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.78

SD12-0306 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with SD12-0306 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD12-0306?
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What is the minimum amount of SD12-0306 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD12-0306
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD12-0306
  • 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 SD12-0306 available by request