E002-1706 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

E002-1706 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
E002-1706 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1706
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

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

E002-1706

Molecular Formula

C17H21N5O3S (C17 H21 N5 O3 S)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[5-(3-methylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-[5-(3-methylpiperidin-1-yl)-134-thiadiazol-2-yl]urea

SMILES

CC(CCC1)CN1c1nnc(NC(Nc(cc2)cc3c2OCCO3)=O)s1

InChI

InChI=1S/C17H21N5O3S/c1-11-3-2-6-22(10-11)17-21-20-16(26-17)19-15(23)18-12-4-5-13-14(9-12)25-8-7-24-13/h4-5,9,11H,2-3,6-8,10H2,1H3,(H2,18,19,20,23)/t11-/m0/s1

InChI Key

JZIXFVYQBUJTHC-NSHDSACASA-N

MDL Number (MFCD)

MFCD14835462

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-3.39

Polar Surface Area

75.110

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.10

E002-1706 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E002-1706 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1706?
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What is the minimum amount of E002-1706 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1706
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1706
  • 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 E002-1706 available by request