V016-6184 Screening compound: ethyl 1-{4-[(4-methylpentan-2-yl)carbamoyl]phenyl}-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate

V016-6184 Screening compound: ethyl 1-{4-[(4-methylpentan-2-yl)carbamoyl]phenyl}-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate
V016-6184 Screening compound: ethyl 1-{4-[(4-methylpentan-2-yl)carbamoyl]phenyl}-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-6184
ethyl 1-{4-[(4-methylpentan-2-yl)carbamoyl]phenyl}-5-(2-methylphenyl)-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

V016-6184

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

ethyl 1-{4-[(4-methylpentan-2-yl)carbamoyl]phenyl}-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate

IUPAC name

ethyl 1-{4-[(4-methylpentan-2-yl)carbamoyl]phenyl}-5-(2-methylphenyl)-1H-pyrazole-3-carboxylate

SMILES

CCOC(c(cc1-c2c(C)cccc2)nn1-c(cc1)ccc1C(NC(C)CC(C)C)=O)=O

InChI

InChI=1S/C26H31N3O3/c1-6-32-26(31)23-16-24(22-10-8-7-9-18(22)4)29(28-23)21-13-11-20(12-14-21)25(30)27-19(5)15-17(2)3/h7-14,16-17,19H,6,15H2,1-5H3,(H,27,30)/t19-/m0/s1

InChI Key

DZYKCYUTYYCHOS-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19946777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

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

5.122

Distribution Coefficient, logD

5.122

Water Solubility, LogSw

-4.90

Polar Surface Area

57.941

Acid Dissociation Constant (pKa)

12.91

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

V016-6184 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with V016-6184 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-6184?
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What is the minimum amount of V016-6184 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-6184
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-6184
  • 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 V016-6184 available by request