V014-0243 Screening compound: 1-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea

V014-0243 Screening compound: 1-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea
V014-0243 Screening compound: 1-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0243
1-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea

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

V014-0243

Molecular Formula

C26H32N4O6 (C26 H32 N4 O6)

Compound Name

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

IUPAC name

1-{2-[5-(2H-13-benzodioxol-5-yl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea

SMILES

CCCNC(N(CCOC)CC(N(C(C1)c(cc2)cc3c2OCO3)N=C1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C26H32N4O6/c1-4-11-27-26(32)29(12-13-33-2)16-25(31)30-22(19-7-10-23-24(14-19)36-17-35-23)15-21(28-30)18-5-8-20(34-3)9-6-18/h5-10,14,22H,4,11-13,15-17H2,1-3H3,(H,27,32)/t22-/m0/s1

InChI Key

QKZGBZISNVCOEC-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD19797672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.56

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

3.788

Distribution Coefficient, logD

3.788

Water Solubility, LogSw

-3.97

Polar Surface Area

86.306

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

3.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

V014-0243 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 V014-0243 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0243?
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What is the minimum amount of V014-0243 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0243
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0243
  • 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 V014-0243 available by request