V016-8301 Screening compound: 1-[5-amino-3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3-[2-(dimethylamino)ethyl]urea

V016-8301 Screening compound: 1-[5-amino-3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3-[2-(dimethylamino)ethyl]urea
V016-8301 Screening compound: 1-[5-amino-3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3-[2-(dimethylamino)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8301
1-[5-amino-3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3-[2-(dimethylamino)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

V016-8301

Molecular Formula

C22H25F3N6O2 (C22 H25 F3 N6 O2)

Compound Name

1-[5-amino-3-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]-3-[2-(dimethylamino)ethyl]urea

IUPAC name

n/a

SMILES

CN(C)CCNC(Nc1c(N)n(-c2ccc(C(F)(F)F)cc2)nc1-c(cc1)ccc1OC)=O

InChI

InChI=1S/C22H25F3N6O2/c1-30(2)13-12-27-21(32)28-19-18(14-4-10-17(33-3)11-5-14)29-31(20(19)26)16-8-6-15(7-9-16)22(23,24)25/h4-11H,12-13,26H2,1-3H3,(H2,27,28,32)

InChI Key

PNTOTCSUPUPDSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265635

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

462.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.846

Distribution Coefficient, logD

0.003

Water Solubility, LogSw

-3.37

Polar Surface Area

77.582

Acid Dissociation Constant (pKa)

12.92

Base Dissociation Constant (pKb)

10.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

V016-8301 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 V016-8301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8301?
Check Price and Availability of V016-8301, 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 V016-8301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8301
  • 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 V016-8301 available by request