V010-4644 Screening compound: 3-[(4-tert-butylphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one

V010-4644 Screening compound: 3-[(4-tert-butylphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one
V010-4644 Screening compound: 3-[(4-tert-butylphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-4644
3-[(4-tert-butylphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one

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

V010-4644

Molecular Formula

C19H24N4O2S (C19 H24 N4 O2 S)

Compound Name

3-[(4-tert-butylphenoxy)methyl]-5-(2-methylprop-2-en-1-yl)-5H,6H,7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-one

IUPAC name

n/a

SMILES

CC(C)(C)c(cc1)ccc1OCc(n1N2CC(C)=C)nnc1SCC2=O

InChI

InChI=1S/C19H24N4O2S/c1-13(2)10-22-17(24)12-26-18-21-20-16(23(18)22)11-25-15-8-6-14(7-9-15)19(3,4)5/h6-9H,1,10-12H2,2-5H3

InChI Key

YKRMGBRMMOGRQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14282340

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

372.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.875

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-3.85

Polar Surface Area

46.933

Acid Dissociation Constant (pKa)

14.78

Base Dissociation Constant (pKb)

-1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

V010-4644 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 V010-4644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-4644?
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What is the minimum amount of V010-4644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-4644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-4644
  • 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 V010-4644 available by request