V016-6183 Screening compound: ethyl 5-tert-butyl-1-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate

V016-6183 Screening compound: ethyl 5-tert-butyl-1-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate
V016-6183 Screening compound: ethyl 5-tert-butyl-1-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6183
ethyl 5-tert-butyl-1-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-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

V016-6183

Molecular Formula

C27H33N3O5 (C27 H33 N3 O5)

Compound Name

ethyl 5-tert-butyl-1-(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 5-tert-butyl-1-(4-{[2-(34-dimethoxyphenyl)ethyl]carbamoyl}phenyl)-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1C(C)(C)C)nn1-c(cc1)ccc1C(NCCc(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C27H33N3O5/c1-7-35-26(32)21-17-24(27(2,3)4)30(29-21)20-11-9-19(10-12-20)25(31)28-15-14-18-8-13-22(33-5)23(16-18)34-6/h8-13,16-17H,7,14-15H2,1-6H3,(H,28,31)

InChI Key

PGJIIARBZAFITN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19944360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.890

Distribution Coefficient, logD

3.890

Water Solubility, LogSw

-4.05

Polar Surface Area

73.602

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

-2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

V016-6183 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 V016-6183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6183?
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What is the minimum amount of V016-6183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6183
  • 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 V016-6183 available by request