V005-1561 Screening compound: 2-{[(3-chloro-4-methylanilino)carbonyl]amino}-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

V005-1561 Screening compound: 2-{[(3-chloro-4-methylanilino)carbonyl]amino}-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide
V005-1561 Screening compound: 2-{[(3-chloro-4-methylanilino)carbonyl]amino}-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-1561
2-{[(3-chloro-4-methylanilino)carbonyl]amino}-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

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

V005-1561

Molecular Formula

C25H21ClFN5O2S (C25 H21 ClFN5 O2 S)

Compound Name

2-{[(3-chloro-4-methylanilino)carbonyl]amino}-N-[5-(4-fluorophenyl)-1,3,4-thiadiazol-2-yl]-3-phenylpropanamide

IUPAC name

2-{[(3-chloro-4-methylphenyl)carbamoyl]amino}-N-[5-(4-fluorophenyl)-134-thiadiazol-2-yl]-3-phenylpropanamide

SMILES

Cc(ccc(NC(NC(Cc1ccccc1)C(Nc1nnc(-c(cc2)ccc2F)s1)=O)=O)c1)c1Cl

InChI

InChI=1S/C25H21ClFN5O2S/c1-15-7-12-19(14-20(15)26)28-24(34)29-21(13-16-5-3-2-4-6-16)22(33)30-25-32-31-23(35-25)17-8-10-18(27)11-9-17/h2-12,14,21H,13H2,1H3,(H2,28,29,34)(H,30,32,33)/t21-/m0/s1

InChI Key

XBUAEJPDHMLMAB-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19762812

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

509.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.398

Distribution Coefficient, logD

6.397

Water Solubility, LogSw

-6.16

Polar Surface Area

79.858

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

V005-1561 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V005-1561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-1561?
Check Price and Availability of V005-1561, 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 V005-1561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-1561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-1561
  • 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 V005-1561 available by request