L083-0494 Screening compound: 5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

L083-0494 Screening compound: 5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
L083-0494 Screening compound: 5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L083-0494
5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(3-chlorophenyl)-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

L083-0494

Molecular Formula

C23H23ClN4O3S (C23 H23 ClN4 O3 S)

Compound Name

5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-{[4-(azepane-1-carbonyl)phenoxy]methyl}-N-(3-chlorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(COc(cc2)ccc2C(N2CCCCCC2)=O)s1)Nc1cccc(Cl)c1

InChI

InChI=1S/C23H23ClN4O3S/c24-17-6-5-7-18(14-17)25-21(29)22-27-26-20(32-22)15-31-19-10-8-16(9-11-19)23(30)28-12-3-1-2-4-13-28/h5-11,14H,1-4,12-13,15H2,(H,25,29)

InChI Key

GVDVYYSMXGDYFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118259

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.438

Water Solubility, LogSw

-4.49

Polar Surface Area

71.536

Acid Dissociation Constant (pKa)

9.52

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with L083-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L083-0494?
Check Price and Availability of L083-0494, 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 L083-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L083-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L083-0494
  • 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 L083-0494 available by request