V017-2863 Screening compound: 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)pentanamide

V017-2863 Screening compound: 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)pentanamide
V017-2863 Screening compound: 3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-2863
3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)pentanamide

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

V017-2863

Molecular Formula

C22H22F3N5O2S (C22 H22 F3 N5 O2 S)

Compound Name

3-methyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-2-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)pentanamide

IUPAC name

3-methyl-N-(5-phenyl-134-thiadiazol-2-yl)-2-({[4-(trifluoromethyl)phenyl]carbamoyl}amino)pentanamide

SMILES

CCC(C)C(C(Nc1nnc(-c2ccccc2)s1)=O)NC(Nc1ccc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C22H22F3N5O2S/c1-3-13(2)17(27-20(32)26-16-11-9-15(10-12-16)22(23,24)25)18(31)28-21-30-29-19(33-21)14-7-5-4-6-8-14/h4-13,17H,3H2,1-2H3,(H2,26,27,32)(H,28,30,31)

InChI Key

UESLESMJCVFFTE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14242042

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

477.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.740

Distribution Coefficient, logD

5.740

Water Solubility, LogSw

-5.58

Polar Surface Area

79.852

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

V017-2863 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 V017-2863 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-2863?
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What is the minimum amount of V017-2863 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-2863
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-2863
  • 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 V017-2863 available by request