F091-1077 Screening compound: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,3,4-trimethoxybenzoyl)-1,3-thiazole-2,4-diamine

F091-1077 Screening compound: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,3,4-trimethoxybenzoyl)-1,3-thiazole-2,4-diamine
F091-1077 Screening compound: N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,3,4-trimethoxybenzoyl)-1,3-thiazole-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound F091-1077
N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,3,4-trimethoxybenzoyl)-1,3-thiazole-2,4-diamine

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

F091-1077

Molecular Formula

C21H21N3O6S (C21 H21 N3 O6 S)

Compound Name

N2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(2,3,4-trimethoxybenzoyl)-1,3-thiazole-2,4-diamine

IUPAC name

N2-(23-dihydro-14-benzodioxin-6-yl)-5-(234-trimethoxybenzoyl)-13-thiazole-24-diamine

SMILES

COc(ccc(C(c1c(N)nc(Nc(cc2)cc3c2OCCO3)s1)=O)c1OC)c1OC

InChI

InChI=1S/C21H21N3O6S/c1-26-14-7-5-12(17(27-2)18(14)28-3)16(25)19-20(22)24-21(31-19)23-11-4-6-13-15(10-11)30-9-8-29-13/h4-7,10H,8-9,22H2,1-3H3,(H,23,24)

InChI Key

FGOATMNAFFGTIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14940905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.988

Distribution Coefficient, logD

2.988

Water Solubility, LogSw

-3.56

Polar Surface Area

92.249

Acid Dissociation Constant (pKa)

17.53

Base Dissociation Constant (pKb)

2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F091-1077 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 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
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro

References: we are preparing a list of scientific research reports with F091-1077 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F091-1077?
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What is the minimum amount of F091-1077 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F091-1077
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F091-1077
  • 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 F091-1077 available by request