E002-0451 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

E002-0451 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea
E002-0451 Screening compound: 1-(2-chloro-4-methylphenyl)-3-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-0451
1-(2-chloro-4-methylphenyl)-3-[5-(piperidin-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

E002-0451

Molecular Formula

C15H18ClN5OS (C15 H18 ClN5 OS)

Compound Name

1-(2-chloro-4-methylphenyl)-3-[5-(piperidin-1-yl)-1,3,4-thiadiazol-2-yl]urea

IUPAC name

1-(2-chloro-4-methylphenyl)-3-[5-(piperidin-1-yl)-134-thiadiazol-2-yl]urea

SMILES

Cc(cc1)cc(Cl)c1NC(Nc1nnc(N2CCCCC2)s1)=O

InChI

InChI=1S/C15H18ClN5OS/c1-10-5-6-12(11(16)9-10)17-13(22)18-14-19-20-15(23-14)21-7-3-2-4-8-21/h5-6,9H,2-4,7-8H2,1H3,(H2,17,18,19,22)

InChI Key

DCQAOXIVRQUVKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14834597

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.513

Water Solubility, LogSw

-4.56

Polar Surface Area

58.656

Acid Dissociation Constant (pKa)

10.56

Base Dissociation Constant (pKb)

0.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

E002-0451 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with E002-0451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-0451?
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What is the minimum amount of E002-0451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-0451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-0451
  • 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 E002-0451 available by request