V017-9588 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(4-ethoxyphenyl)carbamoyl]amino}-3-phenylpropanamide

V017-9588 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(4-ethoxyphenyl)carbamoyl]amino}-3-phenylpropanamide
V017-9588 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(4-ethoxyphenyl)carbamoyl]amino}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9588
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(4-ethoxyphenyl)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

V017-9588

Molecular Formula

C27H25N5O5S (C27 H25 N5 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)ccc1NC(NC(Cc1ccccc1)C(Nc1nnc(-c(cc2)cc3c2OCO3)s1)=O)=O

InChI

InChI=1S/C27H25N5O5S/c1-2-35-20-11-9-19(10-12-20)28-26(34)29-21(14-17-6-4-3-5-7-17)24(33)30-27-32-31-25(38-27)18-8-13-22-23(15-18)37-16-36-22/h3-13,15,21H,2,14,16H2,1H3,(H2,28,29,34)(H,30,32,33)/t21-/m0/s1

InChI Key

IPOTYEDNUAAVBX-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14243050

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.59

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.251

Distribution Coefficient, logD

5.250

Water Solubility, LogSw

-5.07

Polar Surface Area

104.098

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

V017-9588 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 V017-9588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9588?
Check Price and Availability of V017-9588, 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 V017-9588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9588
  • 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 V017-9588 available by request