F497-0081 Screening compound: 5-(4-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]AMINO}PHENYL)-N-(4-METHYLPHENYL)-1,3,4-THIADIAZOLE-2-CARBOXAMIDE

F497-0081 Screening compound: 5-(4-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]AMINO}PHENYL)-N-(4-METHYLPHENYL)-1,3,4-THIADIAZOLE-2-CARBOXAMIDE
F497-0081 Screening compound: 5-(4-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]AMINO}PHENYL)-N-(4-METHYLPHENYL)-1,3,4-THIADIAZOLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound F497-0081
5-(4-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]AMINO}PHENYL)-N-(4-METHYLPHENYL)-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

F497-0081

Molecular Formula

C24H20ClN5O2S (C24 H20 ClN5 O2 S)

Compound Name

5-(4-{[(3-CHLORO-4-METHYLPHENYL)CARBAMOYL]AMINO}PHENYL)-N-(4-METHYLPHENYL)-1,3,4-THIADIAZOLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)ccc1NC(c1nnc(-c(cc2)ccc2NC(Nc2cc(Cl)c(C)cc2)=O)s1)=O

InChI

InChI=1S/C24H20ClN5O2S/c1-14-3-8-17(9-4-14)26-21(31)23-30-29-22(33-23)16-6-11-18(12-7-16)27-24(32)28-19-10-5-15(2)20(25)13-19/h3-13H,1-2H3,(H,26,31)(H2,27,28,32)

InChI Key

AGVFYIUEJRXUOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27134307

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.97

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.863

Distribution Coefficient, logD

6.863

Water Solubility, LogSw

-6.55

Polar Surface Area

78.865

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

F497-0081 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with F497-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F497-0081?
Check Price and Availability of F497-0081, 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 F497-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F497-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F497-0081
  • 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 F497-0081 available by request