V028-8595 Screening compound: 2-(ethyl{[5-(4-fluorobenzyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}amino)-2-methyl-1-propanol

V028-8595 Screening compound: 2-(ethyl{[5-(4-fluorobenzyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}amino)-2-methyl-1-propanol
V028-8595 Screening compound: 2-(ethyl{[5-(4-fluorobenzyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}amino)-2-methyl-1-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8595
2-(ethyl{[5-(4-fluorobenzyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}amino)-2-methyl-1-propanol

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

V028-8595

Molecular Formula

C27H35FN4O (C27 H35 FN4 O)

Compound Name

2-(ethyl{[5-(4-fluorobenzyl)-1-(4-methylphenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl]methyl}amino)-2-methyl-1-propanol

IUPAC name

2-[ethyl({5-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)-1H4H5H6H7H-pyrazolo[43-c]pyridin-3-yl}methyl)amino]-2-methylpropan-1-ol

SMILES

CCN(Cc(c1c2CCN(Cc(cc3)ccc3F)C1)nn2-c1ccc(C)cc1)C(C)(C)CO

InChI

InChI=1S/C27H35FN4O/c1-5-31(27(3,4)19-33)18-25-24-17-30(16-21-8-10-22(28)11-9-21)15-14-26(24)32(29-25)23-12-6-20(2)7-13-23/h6-13,33H,5,14-19H2,1-4H3

InChI Key

ASYRHHRNIIGLDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19850165

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

450.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.282

Distribution Coefficient, logD

0.153

Water Solubility, LogSw

-4.13

Polar Surface Area

39.131

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

11.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

V028-8595 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-8595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8595?
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What is the minimum amount of V028-8595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8595
  • 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 V028-8595 available by request