V008-9023 Screening compound: 3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

V008-9023 Screening compound: 3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea
V008-9023 Screening compound: 3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-9023
3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-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

V008-9023

Molecular Formula

C25H32N4O4 (C25 H32 N4 O4)

Compound Name

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

IUPAC name

3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(4-methoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

SMILES

CC(C)(C)NC(N(C)CC(N(C(C1)c(cccc2)c2OC)N=C1c(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C25H32N4O4/c1-25(2,3)26-24(31)28(4)16-23(30)29-21(19-9-7-8-10-22(19)33-6)15-20(27-29)17-11-13-18(32-5)14-12-17/h7-14,21H,15-16H2,1-6H3,(H,26,31)/t21-/m0/s1

InChI Key

FBCLJAHWSHCGPN-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19804561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.55

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

4.261

Distribution Coefficient, logD

4.261

Water Solubility, LogSw

-4.39

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

V008-9023 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 V008-9023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-9023?
Check Price and Availability of V008-9023, 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 V008-9023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-9023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-9023
  • 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 V008-9023 available by request