5133-0622 Screening compound: N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxyphenyl)urea

5133-0622 Screening compound: N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxyphenyl)urea
5133-0622 Screening compound: N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxyphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5133-0622
N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxyphenyl)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

5133-0622

Molecular Formula

C17H15FN4O3S (C17 H15 FN4 O3 S)

Compound Name

N-{5-[(2-fluorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-N'-(2-methoxyphenyl)urea

IUPAC name

n/a

SMILES

COc(cccc1)c1NC(Nc1nnc(COc(cccc2)c2F)s1)=O

InChI

InChI=1S/C17H15FN4O3S/c1-24-14-9-5-3-7-12(14)19-16(23)20-17-22-21-15(26-17)10-25-13-8-4-2-6-11(13)18/h2-9H,10H2,1H3,(H2,19,20,22,23)

InChI Key

BLOVAXGUNXRFBQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02639426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.867

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.08

Polar Surface Area

70.828

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5133-0622 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5133-0622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5133-0622?
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What is the minimum amount of 5133-0622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5133-0622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5133-0622
  • 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 5133-0622 available by request