F912-0684 Screening compound: N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide

F912-0684 Screening compound: N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
F912-0684 Screening compound: N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-[(3,5-dimethylphenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F912-0684
N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-[(3,5-dimethylphenoxy)methyl]-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

F912-0684

Molecular Formula

C27H30N4O3S (C27 H30 N4 O3 S)

Compound Name

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

IUPAC name

N-(3-{[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}phenyl)-5-[(35-dimethylphenoxy)methyl]-134-thiadiazole-2-carboxamide

SMILES

Cc1cc(OCc2nnc(C(Nc3cc(C(NCCC4=CCCCC4)=O)ccc3)=O)s2)cc(C)c1

InChI

InChI=1S/C27H30N4O3S/c1-18-13-19(2)15-23(14-18)34-17-24-30-31-27(35-24)26(33)29-22-10-6-9-21(16-22)25(32)28-12-11-20-7-4-3-5-8-20/h6-7,9-10,13-16H,3-5,8,11-12,17H2,1-2H3,(H,28,32)(H,29,33)

InChI Key

VYWRNOFLJPTTJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14970502

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.264

Distribution Coefficient, logD

5.264

Water Solubility, LogSw

-5.05

Polar Surface Area

79.003

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F912-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F912-0684?
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What is the minimum amount of F912-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F912-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F912-0684
  • 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 F912-0684 available by request