V021-5094 Screening compound: 2-{[(4-cyanophenyl)carbamoyl]amino}-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide

V021-5094 Screening compound: 2-{[(4-cyanophenyl)carbamoyl]amino}-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide
V021-5094 Screening compound: 2-{[(4-cyanophenyl)carbamoyl]amino}-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-5094
2-{[(4-cyanophenyl)carbamoyl]amino}-3-methyl-N-[5-(3-methylphenyl)-1,3,4-thiadiazol-2-yl]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

V021-5094

Molecular Formula

C23H24N6O2S (C23 H24 N6 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)C(C(Nc1nnc(-c2cc(C)ccc2)s1)=O)NC(Nc(cc1)ccc1C#N)=O

InChI

InChI=1S/C23H24N6O2S/c1-4-15(3)19(26-22(31)25-18-10-8-16(13-24)9-11-18)20(30)27-23-29-28-21(32-23)17-7-5-6-14(2)12-17/h5-12,15,19H,4H2,1-3H3,(H2,25,26,31)(H,27,29,30)

InChI Key

UYTZXRMWSYJKEO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14242082

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

448.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

4.978

Water Solubility, LogSw

-4.58

Polar Surface Area

96.908

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.10

V021-5094 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 V021-5094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-5094?
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What is the minimum amount of V021-5094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-5094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-5094
  • 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 V021-5094 available by request