F854-0646 Screening compound: N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide

F854-0646 Screening compound: N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
F854-0646 Screening compound: N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F854-0646
N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-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

F854-0646

Molecular Formula

C22H31N5O2S (C22 H31 N5 O2 S)

Compound Name

N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-134-thiadiazole-2-carboxamide

SMILES

CCCc1nnc(C(Nc2cc(C(NCCCN3CCCCCC3)=O)ccc2)=O)s1

InChI

InChI=1S/C22H31N5O2S/c1-2-9-19-25-26-22(30-19)21(29)24-18-11-7-10-17(16-18)20(28)23-12-8-15-27-13-5-3-4-6-14-27/h7,10-11,16H,2-6,8-9,12-15H2,1H3,(H,23,28)(H,24,29)

InChI Key

OTFFXTJWYZTIOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14967976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.59

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

3.580

Distribution Coefficient, logD

1.009

Water Solubility, LogSw

-3.65

Polar Surface Area

75.897

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

9.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with F854-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F854-0646?
Check Price and Availability of F854-0646, 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 F854-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F854-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F854-0646
  • 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 F854-0646 available by request