3993-0702 Screening compound: N'-[(E)-(3-bromophenyl)methylidene]-2-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}acetohydrazide

3993-0702 Screening compound: N'-[(E)-(3-bromophenyl)methylidene]-2-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}acetohydrazide
3993-0702 Screening compound: N'-[(E)-(3-bromophenyl)methylidene]-2-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-0702
N'-[(E)-(3-bromophenyl)methylidene]-2-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}acetohydrazide

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

3993-0702

Molecular Formula

C15H16BrN5O3S (C15 H16 BrN5 O3 S)

Compound Name

N'-[(E)-(3-bromophenyl)methylidene]-2-{[4-(morpholin-4-yl)-1,2,5-thiadiazol-3-yl]oxy}acetohydrazide

IUPAC name

N'-[(E)-(3-bromophenyl)methylidene]-2-{[4-(morpholin-4-yl)-125-thiadiazol-3-yl]oxy}acetohydrazide

SMILES

O=C(COc1nsnc1N1CCOCC1)N/N=C/c1cccc(Br)c1

InChI

InChI=1S/C15H16BrN5O3S/c16-12-3-1-2-11(8-12)9-17-18-13(22)10-24-15-14(19-25-20-15)21-4-6-23-7-5-21/h1-3,8-9H,4-7,10H2,(H,18,22)

InChI Key

IDOMLWJFRNPVOT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01995948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.414

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.66

Polar Surface Area

75.372

Acid Dissociation Constant (pKa)

9.65

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

3993-0702 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Akt-Targeted Library (14764 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
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3993-0702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-0702?
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What is the minimum amount of 3993-0702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-0702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-0702
  • 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 3993-0702 available by request