V017-4927 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-3-phenylpropanamide

V017-4927 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-3-phenylpropanamide
V017-4927 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4927
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-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

V017-4927

Molecular Formula

C25H19ClFN5O4S (C25 H19 ClFN5 O4 S)

Compound Name

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

IUPAC name

N-[5-(2H-13-benzodioxol-5-yl)-134-thiadiazol-2-yl]-2-{[(3-chloro-4-fluorophenyl)carbamoyl]amino}-3-phenylpropanamide

SMILES

O=C(C(Cc1ccccc1)NC(Nc(cc1)cc(Cl)c1F)=O)Nc1nnc(-c(cc2)cc3c2OCO3)s1

InChI

InChI=1S/C25H19ClFN5O4S/c26-17-12-16(7-8-18(17)27)28-24(34)29-19(10-14-4-2-1-3-5-14)22(33)30-25-32-31-23(37-25)15-6-9-20-21(11-15)36-13-35-20/h1-9,11-12,19H,10,13H2,(H2,28,29,34)(H,30,32,33)/t19-/m0/s1

InChI Key

NQOVRHSEAPIIIE-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14243052

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

539.97

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.612

Distribution Coefficient, logD

5.611

Water Solubility, LogSw

-6.01

Polar Surface Area

96.974

Acid Dissociation Constant (pKa)

10.14

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.00

V017-4927 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 V017-4927 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4927?
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What is the minimum amount of V017-4927 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4927
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4927
  • 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 V017-4927 available by request