8018-1835 Screening compound: (E)-[amino({4-amino-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl})methylidene]amino furan-2-carboxylate

8018-1835 Screening compound: (E)-[amino({4-amino-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl})methylidene]amino furan-2-carboxylate
8018-1835 Screening compound: (E)-[amino({4-amino-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl})methylidene]amino furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1835
(E)-[amino({4-amino-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl})methylidene]amino furan-2-carboxylate

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

8018-1835

Molecular Formula

C16H15N7O3 (C16 H15 N7 O3)

Compound Name

(E)-[amino({4-amino-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl})methylidene]amino furan-2-carboxylate

IUPAC name

(E)-[amino({4-amino-6-[methyl(phenyl)amino]-135-triazin-2-yl})methylidene]amino furan-2-carboxylate

SMILES

CN(c1ccccc1)c1nc(N)nc(/C(/N)=N\OC(c2ccco2)=O)n1

InChI

InChI=1S/C16H15N7O3/c1-23(10-6-3-2-4-7-10)16-20-13(19-15(18)21-16)12(17)22-26-14(24)11-8-5-9-25-11/h2-9H,1H3,(H2,17,22)(H2,18,19,20,21)

InChI Key

ZBPZVUPTYCJSDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.34

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.126

Distribution Coefficient, logD

1.126

Water Solubility, LogSw

-1.49

Polar Surface Area

112.121

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

8018-1835 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-1835 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1835?
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What is the minimum amount of 8018-1835 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1835
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1835
  • 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 8018-1835 available by request