3086-0057 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

3086-0057 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide
3086-0057 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3086-0057
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

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

3086-0057

Molecular Formula

C16H18ClN3O2S (C16 H18 ClN3 O2 S)

Compound Name

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}cyclohexanecarboxamide

IUPAC name

N-{5-[(4-chlorophenoxy)methyl]-134-thiadiazol-2-yl}cyclohexanecarboxamide

SMILES

O=C(C1CCCCC1)Nc1nnc(COc(cc2)ccc2Cl)s1

InChI

InChI=1S/C16H18ClN3O2S/c17-12-6-8-13(9-7-12)22-10-14-19-20-16(23-14)18-15(21)11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H,18,20,21)

InChI Key

RKOSKURGSRINCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01930034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.324

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-4.60

Polar Surface Area

54.790

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-2.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

References: we are preparing a list of scientific research reports with 3086-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3086-0057?
Check Price and Availability of 3086-0057, 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 3086-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3086-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3086-0057
  • 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 3086-0057 available by request