V028-0793 Screening compound: 3-tert-butyl-1-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

V028-0793 Screening compound: 3-tert-butyl-1-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea
V028-0793 Screening compound: 3-tert-butyl-1-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0793
3-tert-butyl-1-{2-[5-(2-chlorophenyl)-3-(thiophen-2-yl)-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

V028-0793

Molecular Formula

C21H25ClN4O2S (C21 H25 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)NC(N(C)CC(N(C(C1)c(cccc2)c2Cl)N=C1c1cccs1)=O)=O

InChI

InChI=1S/C21H25ClN4O2S/c1-21(2,3)23-20(28)25(4)13-19(27)26-17(14-8-5-6-9-15(14)22)12-16(24-26)18-10-7-11-29-18/h5-11,17H,12-13H2,1-4H3,(H,23,28)/t17-/m0/s1

InChI Key

ISQQKIFXLHCONT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19800900

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

432.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.572

Distribution Coefficient, logD

4.572

Water Solubility, LogSw

-4.48

Polar Surface Area

53.266

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

V028-0793 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 V028-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0793?
Check Price and Availability of V028-0793, 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 V028-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0793
  • 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 V028-0793 available by request