F735-0395 Screening compound: N-(4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide

F735-0395 Screening compound: N-(4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide
F735-0395 Screening compound: N-(4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F735-0395
N-(4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5-methyl-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

F735-0395

Molecular Formula

C24H28N6O2S (C24 H28 N6 O2 S)

Compound Name

N-(4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5-methyl-1,3,4-thiadiazole-2-carboxamide

IUPAC name

N-(4-{[2-(4-benzylpiperazin-1-yl)ethyl]carbamoyl}phenyl)-5-methyl-134-thiadiazole-2-carboxamide

SMILES

Cc1nnc(C(Nc(cc2)ccc2C(NCCN2CCN(Cc3ccccc3)CC2)=O)=O)s1

InChI

InChI=1S/C24H28N6O2S/c1-18-27-28-24(33-18)23(32)26-21-9-7-20(8-10-21)22(31)25-11-12-29-13-15-30(16-14-29)17-19-5-3-2-4-6-19/h2-10H,11-17H2,1H3,(H,25,31)(H,26,32)

InChI Key

MXONFXNDHWOUCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.657

Distribution Coefficient, logD

1.512

Water Solubility, LogSw

-2.37

Polar Surface Area

78.418

Acid Dissociation Constant (pKa)

9.21

Base Dissociation Constant (pKb)

6.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

F735-0395 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F735-0395 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F735-0395?
Check Price and Availability of F735-0395, 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 F735-0395 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F735-0395
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F735-0395
  • 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 F735-0395 available by request