V014-5254 Screening compound: 1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea

V014-5254 Screening compound: 1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea
V014-5254 Screening compound: 1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-5254
1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-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

V014-5254

Molecular Formula

C22H27FN4O3S (C22 H27 FN4 O3 S)

Compound Name

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

IUPAC name

1-{2-[3-(2-fluorophenyl)-5-(thiophen-2-yl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-(2-methoxyethyl)-3-propylurea

SMILES

CCCNC(N(CCOC)CC(N(C(C1)c2cccs2)N=C1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C22H27FN4O3S/c1-3-10-24-22(29)26(11-12-30-2)15-21(28)27-19(20-9-6-13-31-20)14-18(25-27)16-7-4-5-8-17(16)23/h4-9,13,19H,3,10-12,14-15H2,1-2H3,(H,24,29)/t19-/m0/s1

InChI Key

QSDYWDHWPKWUOO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19802126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.412

Distribution Coefficient, logD

3.412

Water Solubility, LogSw

-3.68

Polar Surface Area

62.665

Acid Dissociation Constant (pKa)

17.04

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

V014-5254 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 V014-5254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-5254?
Check Price and Availability of V014-5254, 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 V014-5254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-5254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-5254
  • 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 V014-5254 available by request