F501-0893 Screening compound: 5-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}propyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

F501-0893 Screening compound: 5-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}propyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
F501-0893 Screening compound: 5-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}propyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F501-0893
5-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}propyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

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

F501-0893

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

5-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}propyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}propyl)-N-(2-methylphenyl)-134-thiadiazole-2-carboxamide

SMILES

Cc(cccc1)c1NC(c1nnc(CCCC(NCCC2=CCCCC2)=O)s1)=O

InChI

InChI=1S/C22H28N4O2S/c1-16-8-5-6-11-18(16)24-21(28)22-26-25-20(29-22)13-7-12-19(27)23-15-14-17-9-3-2-4-10-17/h5-6,8-9,11H,2-4,7,10,12-15H2,1H3,(H,23,27)(H,24,28)

InChI Key

CJDUQSPGUJSEAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14957113

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.968

Distribution Coefficient, logD

2.968

Water Solubility, LogSw

-3.34

Polar Surface Area

70.865

Acid Dissociation Constant (pKa)

11.16

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

F501-0893 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F501-0893 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F501-0893?
Check Price and Availability of F501-0893, 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 F501-0893 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F501-0893
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F501-0893
  • 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 F501-0893 available by request