6466-1338 Screening compound: 7-(difluoromethyl)-N~2~-(2-methoxydibenzo[b,d]furan-3-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

6466-1338 Screening compound: 7-(difluoromethyl)-N~2~-(2-methoxydibenzo[b,d]furan-3-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
6466-1338 Screening compound: 7-(difluoromethyl)-N~2~-(2-methoxydibenzo[b,d]furan-3-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-1338
7-(difluoromethyl)-N~2~-(2-methoxydibenzo[b,d]furan-3-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

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

6466-1338

Molecular Formula

C21H15F2N5O3 (C21 H15 F2 N5 O3)

Compound Name

7-(difluoromethyl)-N~2~-(2-methoxydibenzo[b,d]furan-3-yl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

7-(difluoromethyl)-N-{4-methoxy-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2461012-hexaen-5-yl}-5-methyl-[124]triazolo[15-a]pyrimidine-2-carboxamide

SMILES

Cc1nc2nc(C(Nc(cc3oc(cccc4)c4c3c3)c3OC)=O)nn2c(C(F)F)c1

InChI

InChI=1S/C21H15F2N5O3/c1-10-7-14(18(22)23)28-21(24-10)26-19(27-28)20(29)25-13-9-16-12(8-17(13)30-2)11-5-3-4-6-15(11)31-16/h3-9,18H,1-2H3,(H,25,29)

InChI Key

HVZSMAAOYPSEEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02243449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.38

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

3.743

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-4.11

Polar Surface Area

67.798

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

6466-1338 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6466-1338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-1338?
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What is the minimum amount of 6466-1338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-1338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-1338
  • 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 6466-1338 available by request