C795-0046 Screening compound: 3-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea

C795-0046 Screening compound: 3-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea
C795-0046 Screening compound: 3-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0046
3-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)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

C795-0046

Molecular Formula

C16H20FN5OS (C16 H20 FN5 OS)

Compound Name

3-[5-(3,5-dimethylpiperidin-1-yl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea

IUPAC name

3-[5-(35-dimethylpiperidin-1-yl)-134-thiadiazol-2-yl]-1-(4-fluorophenyl)urea

SMILES

CC(CC(C)C1)CN1c1nnc(NC(Nc(cc2)ccc2F)=O)s1

InChI

InChI=1S/C16H20FN5OS/c1-10-7-11(2)9-22(8-10)16-21-20-15(24-16)19-14(23)18-13-5-3-12(17)4-6-13/h3-6,10-11H,7-9H2,1-2H3,(H2,18,19,20,23)

InChI Key

MMLAKNRDGUSPIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.43

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

4.613

Distribution Coefficient, logD

4.613

Water Solubility, LogSw

-4.25

Polar Surface Area

59.221

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.80

C795-0046 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C795-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0046?
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What is the minimum amount of C795-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0046
  • 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 C795-0046 available by request