8012-7278 Screening compound: 3-(4-amino-5-oxo-3-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid

8012-7278 Screening compound: 3-(4-amino-5-oxo-3-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid
8012-7278 Screening compound: 3-(4-amino-5-oxo-3-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7278
3-(4-amino-5-oxo-3-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid

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

8012-7278

Molecular Formula

C15H17N5O4S (C15 H17 N5 O4 S)

Compound Name

3-(4-amino-5-oxo-3-{[2-oxo-2-(3-toluidino)ethyl]sulfanyl}-4,5-dihydro-1,2,4-triazin-6-yl)propanoic acid

IUPAC name

3-[4-amino-3-({[(3-methylphenyl)carbamoyl]methyl}sulfanyl)-5-oxo-45-dihydro-124-triazin-6-yl]propanoic acid

SMILES

Cc1cccc(NC(CSC(N2N)=NN=C(CCC(O)=O)C2=O)=O)c1

InChI

InChI=1S/C15H17N5O4S/c1-9-3-2-4-10(7-9)17-12(21)8-25-15-19-18-11(5-6-13(22)23)14(24)20(15)16/h2-4,7H,5-6,8,16H2,1H3,(H,17,21)(H,22,23)

InChI Key

ZSVOJXOJQXRHTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03133560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.4

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.734

Distribution Coefficient, logD

-1.926

Water Solubility, LogSw

-2.10

Polar Surface Area

104.551

Acid Dissociation Constant (pKa)

4.74

Base Dissociation Constant (pKb)

0.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.67

References: we are preparing a list of scientific research reports with 8012-7278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7278?
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What is the minimum amount of 8012-7278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7278
  • 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 8012-7278 available by request