V030-5837 Screening compound: 1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea

V030-5837 Screening compound: 1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea
V030-5837 Screening compound: 1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-5837
1-{2-[5-(4-fluorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-[2-(morpholin-4-yl)ethyl]-3-[4-(trifluoromethyl)phenyl]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

V030-5837

Molecular Formula

C29H29F4N5O3S (C29 H29 F4 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(CCN1CCOCC1)C(Nc1ccc(C(F)(F)F)cc1)=O)N(C(C1)c(cc2)ccc2F)N=C1c1cccs1

InChI

InChI=1S/C29H29F4N5O3S/c30-22-7-3-20(4-8-22)25-18-24(26-2-1-17-42-26)35-38(25)27(39)19-37(12-11-36-13-15-41-16-14-36)28(40)34-23-9-5-21(6-10-23)29(31,32)33/h1-10,17,25H,11-16,18-19H2,(H,34,40)/t25-/m1/s1

InChI Key

JOCUZWUYQJVPPD-RUZDIDTESA-N

MDL Number (MFCD)

MFCD19797649

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

603.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.540

Water Solubility, LogSw

-4.83

Polar Surface Area

64.507

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

7.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.50

References: we are preparing a list of scientific research reports with V030-5837 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-5837?
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What is the minimum amount of V030-5837 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-5837
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-5837
  • 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 V030-5837 available by request