1317-0184 Screening compound: 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}butanoic acid

1317-0184 Screening compound: 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}butanoic acid
1317-0184 Screening compound: 4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1317-0184
4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}butanoic 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

1317-0184

Molecular Formula

C11H15N3O5 (C11 H15 N3 O5)

Compound Name

4-{[(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]amino}butanoic acid

IUPAC name

4-{[(13-dimethyl-246-trioxo-13-diazinan-5-ylidene)methyl]amino}butanoic acid

SMILES

CN(C(C(C(N1C)=O)=CNCCCC(O)=O)=O)C1=O

InChI

InChI=1S/C11H15N3O5/c1-13-9(17)7(10(18)14(2)11(13)19)6-12-5-3-4-8(15)16/h6,12H,3-5H2,1-2H3,(H,15,16)

InChI Key

SLWHPPHDBSOVEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01090383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

269.26

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-1.333

Distribution Coefficient, logD

-4.154

Water Solubility, LogSw

-0.50

Polar Surface Area

86.755

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

8.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.46

1317-0184 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1317-0184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1317-0184?
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What is the minimum amount of 1317-0184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1317-0184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1317-0184
  • 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 1317-0184 available by request