V017-9531 Screening compound: 1-[(cyclopropylmethyl)({[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]-2-methylbut-3-en-2-ol

V017-9531 Screening compound: 1-[(cyclopropylmethyl)({[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]-2-methylbut-3-en-2-ol
V017-9531 Screening compound: 1-[(cyclopropylmethyl)({[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]-2-methylbut-3-en-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-9531
1-[(cyclopropylmethyl)({[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]-2-methylbut-3-en-2-ol

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

V017-9531

Molecular Formula

C28H35N3O2 (C28 H35 N3 O2)

Compound Name

1-[(cyclopropylmethyl)({[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]-2-methylbut-3-en-2-ol

IUPAC name

1-[(cyclopropylmethyl)({[3-ethyl-5-(4-methylphenoxy)-1-phenyl-1H-pyrazol-4-yl]methyl})amino]-2-methylbut-3-en-2-ol

SMILES

CCc(c(CN(CC1CC1)CC(C)(C=C)O)c1Oc2ccc(C)cc2)nn1-c1ccccc1

InChI

InChI=1S/C28H35N3O2/c1-5-26-25(19-30(18-22-14-15-22)20-28(4,32)6-2)27(33-24-16-12-21(3)13-17-24)31(29-26)23-10-8-7-9-11-23/h6-13,16-17,22,32H,2,5,14-15,18-20H2,1,3-4H3/t28-/m1/s1

InChI Key

IYZFTIUBGSOPEM-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD19887779

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.063

Distribution Coefficient, logD

3.697

Water Solubility, LogSw

-5.58

Polar Surface Area

42.173

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

9.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.30

V017-9531 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V017-9531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-9531?
Check Price and Availability of V017-9531, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V017-9531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-9531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-9531
  • 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 V017-9531 available by request