V015-3590 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(4-chlorophenyl)carbamoyl]amino}-3-methylpentanamide

V015-3590 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(4-chlorophenyl)carbamoyl]amino}-3-methylpentanamide
V015-3590 Screening compound: N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(4-chlorophenyl)carbamoyl]amino}-3-methylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-3590
N-[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]-2-{[(4-chlorophenyl)carbamoyl]amino}-3-methylpentanamide

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

V015-3590

Molecular Formula

C22H22ClN5O4S (C22 H22 ClN5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)C(C(Nc1nnc(-c(cc2)cc3c2OCO3)s1)=O)NC(Nc(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H22ClN5O4S/c1-3-12(2)18(25-21(30)24-15-7-5-14(23)6-8-15)19(29)26-22-28-27-20(33-22)13-4-9-16-17(10-13)32-11-31-16/h4-10,12,18H,3,11H2,1-2H3,(H2,24,25,30)(H,26,28,29)

InChI Key

TTWRSXGXTSCFOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14243053

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

487.97

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

5.470

Distribution Coefficient, logD

5.470

Water Solubility, LogSw

-5.99

Polar Surface Area

96.967

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

V015-3590 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 V015-3590 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-3590?
Check Price and Availability of V015-3590, 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 V015-3590 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-3590
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-3590
  • 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 V015-3590 available by request