V005-8069 Screening compound: 3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea

V005-8069 Screening compound: 3-tert-butyl-1-{2-[5-(4-chlorophenyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-1-methylurea
V005-8069 Screening compound: 3-tert-butyl-1-{2-[5-(4-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 V005-8069
3-tert-butyl-1-{2-[5-(4-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

V005-8069

Molecular Formula

C21H25ClN4O2S (C21 H25 ClN4 O2 S)

Compound Name

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

IUPAC name

3-tert-butyl-1-{2-[5-(4-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(cc2)ccc2Cl)N=C1c1cccs1)=O)=O

InChI

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

InChI Key

PDLAQTHHQWAQCB-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD19800902

Chemical and Physical Properties

Saltdata

n/a

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

4.556

Distribution Coefficient, logD

4.556

Water Solubility, LogSw

-4.95

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

V005-8069 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 V005-8069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-8069?
Check Price and Availability of V005-8069, 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 V005-8069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-8069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-8069
  • 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 V005-8069 available by request