V008-5022 Screening compound: ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate

V008-5022 Screening compound: ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate
V008-5022 Screening compound: ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-5022
ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate

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

V008-5022

Molecular Formula

C29H28BrN3O3 (C29 H28 BrN3 O3)

Compound Name

ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-(4-{[1-(4-bromophenyl)ethyl]carbamoyl}phenyl)-5-(4-ethylphenyl)-1H-pyrazole-3-carboxylate

SMILES

CCc(cc1)ccc1-c1cc(C(OCC)=O)nn1-c(cc1)ccc1C(NC(C)c(cc1)ccc1Br)=O

InChI

InChI=1S/C29H28BrN3O3/c1-4-20-6-8-22(9-7-20)27-18-26(29(35)36-5-2)32-33(27)25-16-12-23(13-17-25)28(34)31-19(3)21-10-14-24(30)15-11-21/h6-19H,4-5H2,1-3H3,(H,31,34)/t19-/m0/s1

InChI Key

BHRJDRQJZOZDHH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19953444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.863

Distribution Coefficient, logD

6.863

Water Solubility, LogSw

-5.60

Polar Surface Area

57.392

Acid Dissociation Constant (pKa)

11.05

Base Dissociation Constant (pKb)

-2.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.70

V008-5022 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-5022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-5022?
Check Price and Availability of V008-5022, 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 V008-5022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-5022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-5022
  • 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 V008-5022 available by request