8013-3294 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

8013-3294 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine
8013-3294 Screening compound: N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3294
N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

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

8013-3294

Molecular Formula

C18H15N5O3 (C18 H15 N5 O3)

Compound Name

N-[4-(1,3-benzoxazol-2-yl)phenyl]-4,6-dimethoxy-1,3,5-triazin-2-amine

IUPAC name

N-[4-(13-benzoxazol-2-yl)phenyl]-46-dimethoxy-135-triazin-2-amine

SMILES

COc1nc(Nc(cc2)ccc2-c2nc(cccc3)c3o2)nc(OC)n1

InChI

InChI=1S/C18H15N5O3/c1-24-17-21-16(22-18(23-17)25-2)19-12-9-7-11(8-10-12)15-20-13-5-3-4-6-14(13)26-15/h3-10H,1-2H3,(H,19,21,22,23)

InChI Key

XJFJDZGMPTWWGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03603499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.813

Distribution Coefficient, logD

4.813

Water Solubility, LogSw

-4.71

Polar Surface Area

71.651

Acid Dissociation Constant (pKa)

15.61

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.11

8013-3294 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-3294 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8013-3294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3294
  • 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 8013-3294 available by request