F058-1330 Screening compound: 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-benzotriazole-5-carboxamide

F058-1330 Screening compound: 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-benzotriazole-5-carboxamide
F058-1330 Screening compound: 1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-benzotriazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F058-1330
1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-benzotriazole-5-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

F058-1330

Molecular Formula

C20H20N4O3 (C20 H20 N4 O3)

Compound Name

1-cyclopentyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-1,2,3-benzotriazole-5-carboxamide

IUPAC name

1-cyclopentyl-N-(23-dihydro-14-benzodioxin-6-yl)-1H-123-benzotriazole-5-carboxamide

SMILES

O=C(c(cc1)cc2c1n(C1CCCC1)nn2)Nc(cc1)cc2c1OCCO2

InChI

InChI=1S/C20H20N4O3/c25-20(21-14-6-8-18-19(12-14)27-10-9-26-18)13-5-7-17-16(11-13)22-23-24(17)15-3-1-2-4-15/h5-8,11-12,15H,1-4,9-10H2,(H,21,25)

InChI Key

MSKZRIUZPMXZFO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27097212

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.377

Distribution Coefficient, logD

2.376

Water Solubility, LogSw

-2.98

Polar Surface Area

64.914

Acid Dissociation Constant (pKa)

9.83

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

F058-1330 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F058-1330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F058-1330?
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What is the minimum amount of F058-1330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F058-1330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F058-1330
  • 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 F058-1330 available by request