V014-9451 Screening compound: 1-{2-[3,5-bis(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea

V014-9451 Screening compound: 1-{2-[3,5-bis(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea
V014-9451 Screening compound: 1-{2-[3,5-bis(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-9451
1-{2-[3,5-bis(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea

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

V014-9451

Molecular Formula

C21H22F2N4O2 (C21 H22 F2 N4 O2)

Compound Name

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

IUPAC name

1-{2-[35-bis(2-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-3-ethyl-1-methylurea

SMILES

CCNC(N(C)CC(N(C(C1)c(cccc2)c2F)N=C1c(cccc1)c1F)=O)=O

InChI

InChI=1S/C21H22F2N4O2/c1-3-24-21(29)26(2)13-20(28)27-19(15-9-5-7-11-17(15)23)12-18(25-27)14-8-4-6-10-16(14)22/h4-11,19H,3,12-13H2,1-2H3,(H,24,29)/t19-/m1/s1

InChI Key

TXSDHKCBBSMADZ-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19810926

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.247

Distribution Coefficient, logD

3.247

Water Solubility, LogSw

-3.61

Polar Surface Area

53.050

Acid Dissociation Constant (pKa)

16.19

Base Dissociation Constant (pKb)

-3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

V014-9451 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 V014-9451 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-9451?
Check Price and Availability of V014-9451, 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 V014-9451 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-9451
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-9451
  • 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 V014-9451 available by request