V006-5572 Screening compound: 3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

V006-5572 Screening compound: 3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea
V006-5572 Screening compound: 3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5572
3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(3-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

V006-5572

Molecular Formula

C25H32N4O4 (C25 H32 N4 O4)

Compound Name

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

IUPAC name

3-tert-butyl-1-{2-[5-(2-methoxyphenyl)-3-(3-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=C1c1cc(OC)ccc1)=O)=O

InChI

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

InChI Key

FHBNOBYXBQLVQQ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD19803749

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

4.315

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.47

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

V006-5572 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V006-5572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5572?
Check Price and Availability of V006-5572, 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 V006-5572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5572
  • 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 V006-5572 available by request