V027-3316 Screening compound: 1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea

V027-3316 Screening compound: 1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea
V027-3316 Screening compound: 1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3316
1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)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

V027-3316

Molecular Formula

C28H36FN5O5 (C28 H36 FN5 O5)

Compound Name

1-{2-[3-(2,4-dimethoxyphenyl)-5-(4-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea

IUPAC name

1-{2-[3-(24-dimethoxyphenyl)-5-(4-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-[2-(morpholin-4-yl)ethyl]urea

SMILES

CCNC(N(CCN1CCOCC1)CC(N(C(C1)c(cc2)ccc2F)N=C1c(ccc(OC)c1)c1OC)=O)=O

InChI

InChI=1S/C28H36FN5O5/c1-4-30-28(36)33(12-11-32-13-15-39-16-14-32)19-27(35)34-25(20-5-7-21(29)8-6-20)18-24(31-34)23-10-9-22(37-2)17-26(23)38-3/h5-10,17,25H,4,11-16,18-19H2,1-3H3,(H,30,36)/t25-/m0/s1

InChI Key

NSJZSIHPXURSET-VWLOTQADSA-N

MDL Number (MFCD)

MFCD19803340

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

541.62

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.757

Distribution Coefficient, logD

2.006

Water Solubility, LogSw

-3.15

Polar Surface Area

79.882

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

8.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

V027-3316 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V027-3316 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3316?
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What is the minimum amount of V027-3316 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3316
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3316
  • 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 V027-3316 available by request