V026-5397 Screening compound: 3-tert-butyl-1-(2-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea

V026-5397 Screening compound: 3-tert-butyl-1-(2-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea
V026-5397 Screening compound: 3-tert-butyl-1-(2-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V026-5397
3-tert-butyl-1-(2-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea

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

V026-5397

Molecular Formula

C23H31N7O (C23 H31 N7 O)

Compound Name

3-tert-butyl-1-(2-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]amino}ethyl)urea

IUPAC name

3-tert-butyl-1-(2-{[6-cyclopropyl-3-methyl-1-(4-methylphenyl)-1H-pyrazolo[34-d]pyrimidin-4-yl]amino}ethyl)urea

SMILES

CC(C)(C)NC(NCCNc1nc(C2CC2)nc2c1c(C)nn2-c1ccc(C)cc1)=O

InChI

InChI=1S/C23H31N7O/c1-14-6-10-17(11-7-14)30-21-18(15(2)29-30)20(26-19(27-21)16-8-9-16)24-12-13-25-22(31)28-23(3,4)5/h6-7,10-11,16H,8-9,12-13H2,1-5H3,(H,24,26,27)(H2,25,28,31)

InChI Key

GFELHSCFBNARQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14257798

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

421.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.071

Distribution Coefficient, logD

2.937

Water Solubility, LogSw

-4.30

Polar Surface Area

78.713

Acid Dissociation Constant (pKa)

16.37

Base Dissociation Constant (pKb)

8.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

V026-5397 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 V026-5397 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V026-5397?
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What is the minimum amount of V026-5397 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V026-5397
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V026-5397
  • 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 V026-5397 available by request