V006-7842 Screening compound: 1-{2-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea

V006-7842 Screening compound: 1-{2-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea
V006-7842 Screening compound: 1-{2-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-7842
1-{2-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)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

V006-7842

Molecular Formula

C25H31FN4O4 (C25 H31 FN4 O4)

Compound Name

1-{2-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea

IUPAC name

1-{2-[3-(2-fluorophenyl)-5-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-(propan-2-yl)urea

SMILES

CC(C)NC(N(CCOC)CC(N(C(C1)c(cc2)ccc2OC)N=C1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C25H31FN4O4/c1-17(2)27-25(32)29(13-14-33-3)16-24(31)30-23(18-9-11-19(34-4)12-10-18)15-22(28-30)20-7-5-6-8-21(20)26/h5-12,17,23H,13-16H2,1-4H3,(H,27,32)/t23-/m1/s1

InChI Key

FYCAMLJHNOIUHD-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD19802116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.54

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

3.629

Distribution Coefficient, logD

3.629

Water Solubility, LogSw

-3.92

Polar Surface Area

68.323

Acid Dissociation Constant (pKa)

16.86

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V006-7842 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 V006-7842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-7842?
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What is the minimum amount of V006-7842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-7842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-7842
  • 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 V006-7842 available by request