V017-9113 Screening compound: 3-METHYL-N-[5-(4-METHYLPHENYL)-1,3,4-THIADIAZOL-2-YL]-2-{[(3-METHYLPHENYL)CARBAMOYL]AMINO}PENTANAMIDE

V017-9113 Screening compound: 3-METHYL-N-[5-(4-METHYLPHENYL)-1,3,4-THIADIAZOL-2-YL]-2-{[(3-METHYLPHENYL)CARBAMOYL]AMINO}PENTANAMIDE
V017-9113 Screening compound: 3-METHYL-N-[5-(4-METHYLPHENYL)-1,3,4-THIADIAZOL-2-YL]-2-{[(3-METHYLPHENYL)CARBAMOYL]AMINO}PENTANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9113
3-METHYL-N-[5-(4-METHYLPHENYL)-1,3,4-THIADIAZOL-2-YL]-2-{[(3-METHYLPHENYL)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

V017-9113

Molecular Formula

C23H27N5O2S (C23 H27 N5 O2 S)

Compound Name

3-METHYL-N-[5-(4-METHYLPHENYL)-1,3,4-THIADIAZOL-2-YL]-2-{[(3-METHYLPHENYL)CARBAMOYL]AMINO}PENTANAMIDE

IUPAC name

n/a

SMILES

CCC(C)C(C(Nc1nnc(-c2ccc(C)cc2)s1)=O)NC(Nc1cc(C)ccc1)=O

InChI

InChI=1S/C23H27N5O2S/c1-5-16(4)19(25-22(30)24-18-8-6-7-15(3)13-18)20(29)26-23-28-27-21(31-23)17-11-9-14(2)10-12-17/h6-13,16,19H,5H2,1-4H3,(H2,24,25,30)(H,26,28,29)

InChI Key

ASSMMRZAVWVPKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19723648

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

437.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.756

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-5.33

Polar Surface Area

79.852

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

1.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.40

V017-9113 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 V017-9113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9113?
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What is the minimum amount of V017-9113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9113
  • 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 V017-9113 available by request