V017-9587 Screening compound: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-({[4-(methylsulfanyl)anilino]carbonyl}amino)-3-phenylpropanamide

V017-9587 Screening compound: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-({[4-(methylsulfanyl)anilino]carbonyl}amino)-3-phenylpropanamide
V017-9587 Screening compound: N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-({[4-(methylsulfanyl)anilino]carbonyl}amino)-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9587
N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-({[4-(methylsulfanyl)anilino]carbonyl}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

V017-9587

Molecular Formula

C26H23N5O4S2 (C26 H23 N5 O4 S2)

Compound Name

N-[5-(1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-({[4-(methylsulfanyl)anilino]carbonyl}amino)-3-phenylpropanamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C26H23N5O4S2/c1-36-19-10-8-18(9-11-19)27-25(33)28-20(13-16-5-3-2-4-6-16)23(32)29-26-31-30-24(37-26)17-7-12-21-22(14-17)35-15-34-21/h2-12,14,20H,13,15H2,1H3,(H2,27,28,33)(H,29,31,32)/t20-/m0/s1

InChI Key

RNHMRKJPAMJESL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14243051

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

533.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.601

Distribution Coefficient, logD

5.601

Water Solubility, LogSw

-5.53

Polar Surface Area

96.974

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.38

V017-9587 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 V017-9587 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9587?
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What is the minimum amount of V017-9587 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9587
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9587
  • 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 V017-9587 available by request