F854-0728 Screening compound: N-(3-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

F854-0728 Screening compound: N-(3-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide
F854-0728 Screening compound: N-(3-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F854-0728
N-(3-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-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

F854-0728

Molecular Formula

C21H21ClN4O2S (C21 H21 ClN4 O2 S)

Compound Name

N-(3-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-{[(4-chlorophenyl)methyl]carbamoyl}phenyl)-5-(2-methylpropyl)-134-thiadiazole-2-carboxamide

SMILES

CC(C)Cc1nnc(C(Nc2cccc(C(NCc(cc3)ccc3Cl)=O)c2)=O)s1

InChI

InChI=1S/C21H21ClN4O2S/c1-13(2)10-18-25-26-21(29-18)20(28)24-17-5-3-4-15(11-17)19(27)23-12-14-6-8-16(22)9-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,23,27)(H,24,28)

InChI Key

AAFHMXMBYGBVOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14968001

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.685

Distribution Coefficient, logD

4.685

Water Solubility, LogSw

-4.83

Polar Surface Area

71.742

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with F854-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F854-0728?
Check Price and Availability of F854-0728, 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 F854-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F854-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F854-0728
  • 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 F854-0728 available by request