V006-2917 Screening compound: 3-tert-butyl-1-{2-[3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

V006-2917 Screening compound: 3-tert-butyl-1-{2-[3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea
V006-2917 Screening compound: 3-tert-butyl-1-{2-[3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-2917
3-tert-butyl-1-{2-[3-(2,4-dimethoxyphenyl)-5-(2-fluorophenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-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

V006-2917

Molecular Formula

C25H31FN4O4 (C25 H31 FN4 O4)

Compound Name

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

IUPAC name

3-tert-butyl-1-{2-[3-(24-dimethoxyphenyl)-5-(2-fluorophenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

SMILES

CC(C)(C)NC(N(C)CC(N(C(C1)c(cccc2)c2F)N=C1c(ccc(OC)c1)c1OC)=O)=O

InChI

InChI=1S/C25H31FN4O4/c1-25(2,3)27-24(32)29(4)15-23(31)30-21(17-9-7-8-10-19(17)26)14-20(28-30)18-12-11-16(33-5)13-22(18)34-6/h7-13,21H,14-15H2,1-6H3,(H,27,32)/t21-/m0/s1

InChI Key

PDQJFRRJBGOORG-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19802554

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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.234

Water Solubility, LogSw

-4.41

Polar Surface Area

67.422

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

V006-2917 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V006-2917 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-2917?
Check Price and Availability of V006-2917, 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 V006-2917 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-2917
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-2917
  • 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 V006-2917 available by request