V002-9598 Screening compound: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(3-methoxypropyl)urea

V002-9598 Screening compound: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(3-methoxypropyl)urea
V002-9598 Screening compound: 1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(3-methoxypropyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9598
1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(3-methoxypropyl)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

V002-9598

Molecular Formula

C21H24ClN5O2 (C21 H24 ClN5 O2)

Compound Name

1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(3-methoxypropyl)urea

IUPAC name

1-[5-amino-1-benzyl-3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3-(3-methoxypropyl)urea

SMILES

COCCCNC(Nc1c(N)n(Cc2ccccc2)nc1-c(cc1)ccc1Cl)=O

InChI

InChI=1S/C21H24ClN5O2/c1-29-13-5-12-24-21(28)25-19-18(16-8-10-17(22)11-9-16)26-27(20(19)23)14-15-6-3-2-4-7-15/h2-4,6-11H,5,12-14,23H2,1H3,(H2,24,25,28)

InChI Key

RSAJXQALZYGYEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14265486

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.766

Distribution Coefficient, logD

2.765

Water Solubility, LogSw

-3.57

Polar Surface Area

74.378

Acid Dissociation Constant (pKa)

11.00

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

V002-9598 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V002-9598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9598?
Check Price and Availability of V002-9598, 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 V002-9598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9598
  • 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 V002-9598 available by request