C795-0047 Screening compound: 3-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea

C795-0047 Screening compound: 3-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea
C795-0047 Screening compound: 3-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1-(4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0047
3-[5-(azepan-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

C795-0047

Molecular Formula

C15H18FN5OS (C15 H18 FN5 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(Nc1nnc(N2CCCCCC2)s1)Nc(cc1)ccc1F

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.41

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

4.314

Distribution Coefficient, logD

4.314

Water Solubility, LogSw

-4.12

Polar Surface Area

59.685

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

C795-0047 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C795-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0047?
Check Price and Availability of C795-0047, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C795-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0047
  • 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 C795-0047 available by request