V029-1072 Screening compound: N-[5-amino-1-(tert-butyl)-3-phenyl-1H-pyrazol-4-yl]-N'-[2-(dimethylamino)ethyl]urea

V029-1072 Screening compound: N-[5-amino-1-(tert-butyl)-3-phenyl-1H-pyrazol-4-yl]-N'-[2-(dimethylamino)ethyl]urea
V029-1072 Screening compound: N-[5-amino-1-(tert-butyl)-3-phenyl-1H-pyrazol-4-yl]-N'-[2-(dimethylamino)ethyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-1072
N-[5-amino-1-(tert-butyl)-3-phenyl-1H-pyrazol-4-yl]-N'-[2-(dimethylamino)ethyl]urea

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

V029-1072

Molecular Formula

C18H28N6O (C18 H28 N6 O)

Compound Name

N-[5-amino-1-(tert-butyl)-3-phenyl-1H-pyrazol-4-yl]-N'-[2-(dimethylamino)ethyl]urea

IUPAC name

1-(5-amino-1-tert-butyl-3-phenyl-1H-pyrazol-4-yl)-3-[2-(dimethylamino)ethyl]urea

SMILES

CC(C)(C)n(c(N)c1NC(NCCN(C)C)=O)nc1-c1ccccc1

InChI

InChI=1S/C18H28N6O/c1-18(2,3)24-16(19)15(21-17(25)20-11-12-23(4)5)14(22-24)13-9-7-6-8-10-13/h6-10H,11-12,19H2,1-5H3,(H2,20,21,25)

InChI Key

FKCPMDUDJROTFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265339

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

344.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.334

Distribution Coefficient, logD

-1.510

Water Solubility, LogSw

-1.81

Polar Surface Area

71.005

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

10.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.44

V029-1072 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V029-1072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-1072?
Check Price and Availability of V029-1072, 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 V029-1072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-1072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-1072
  • 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 V029-1072 available by request