L064-0044 Screening compound: 5-[1-(2,6-difluorobenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

L064-0044 Screening compound: 5-[1-(2,6-difluorobenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide
L064-0044 Screening compound: 5-[1-(2,6-difluorobenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L064-0044
5-[1-(2,6-difluorobenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-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

L064-0044

Molecular Formula

C21H17F3N4O2S (C21 H17 F3 N4 O2 S)

Compound Name

5-[1-(2,6-difluorobenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

5-[1-(26-difluorobenzoyl)piperidin-3-yl]-N-(4-fluorophenyl)-134-thiadiazole-2-carboxamide

SMILES

O=C(c1nnc(C(CCC2)CN2C(c(c(F)ccc2)c2F)=O)s1)Nc(cc1)ccc1F

InChI

InChI=1S/C21H17F3N4O2S/c22-13-6-8-14(9-7-13)25-18(29)20-27-26-19(31-20)12-3-2-10-28(11-12)21(30)17-15(23)4-1-5-16(17)24/h1,4-9,12H,2-3,10-11H2,(H,25,29)/t12-/m0/s1

InChI Key

NKGDXQLQTGPTQX-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD27228388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.425

Distribution Coefficient, logD

3.422

Water Solubility, LogSw

-3.76

Polar Surface Area

63.144

Acid Dissociation Constant (pKa)

9.60

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with L064-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L064-0044?
Check Price and Availability of L064-0044, 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 L064-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L064-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L064-0044
  • 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 L064-0044 available by request