8019-4270 Screening compound: 1-(3-{[2-(difluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1-ethanone

8019-4270 Screening compound: 1-(3-{[2-(difluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1-ethanone
8019-4270 Screening compound: 1-(3-{[2-(difluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-4270
1-(3-{[2-(difluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1-ethanone

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

8019-4270

Molecular Formula

C19H19F2N7O2 (C19 H19 F2 N7 O2)

Compound Name

1-(3-{[2-(difluoromethyl)-1H-1,3-benzimidazol-1-yl]methyl}-1,2,4-oxadiazol-5-yl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}-1-ethanone

IUPAC name

1-(3-{[2-(difluoromethyl)-1H-13-benzodiazol-1-yl]methyl}-124-oxadiazol-5-yl)-2-{[3-(1H-imidazol-1-yl)propyl]amino}ethan-1-one

SMILES

O=C(CNCCCn1cncc1)c1nc(Cn2c(cccc3)c3nc2C(F)F)no1

InChI

InChI=1S/C19H19F2N7O2/c20-17(21)18-24-13-4-1-2-5-14(13)28(18)11-16-25-19(30-26-16)15(29)10-22-6-3-8-27-9-7-23-12-27/h1-2,4-5,7,9,12,17,22H,3,6,8,10-11H2

InChI Key

GNTZMLPEKICRTD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10037788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.710

Distribution Coefficient, logD

0.097

Water Solubility, LogSw

-1.51

Polar Surface Area

80.761

Acid Dissociation Constant (pKa)

17.33

Base Dissociation Constant (pKb)

7.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.58

8019-4270 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-4270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-4270?
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What is the minimum amount of 8019-4270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-4270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-4270
  • 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 8019-4270 available by request