V014-8986 Screening compound: ethyl 5-tert-butyl-1-{4-[(3-ethoxypropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate

V014-8986 Screening compound: ethyl 5-tert-butyl-1-{4-[(3-ethoxypropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate
V014-8986 Screening compound: ethyl 5-tert-butyl-1-{4-[(3-ethoxypropyl)carbamoyl]phenyl}-1H-pyrazole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-8986
ethyl 5-tert-butyl-1-{4-[(3-ethoxypropyl)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

V014-8986

Molecular Formula

C22H31N3O4 (C22 H31 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(c(cc1)ccc1-n(c(C(C)(C)C)c1)nc1C(OCC)=O)=O

InChI

InChI=1S/C22H31N3O4/c1-6-28-14-8-13-23-20(26)16-9-11-17(12-10-16)25-19(22(3,4)5)15-18(24-25)21(27)29-7-2/h9-12,15H,6-8,13-14H2,1-5H3,(H,23,26)

InChI Key

AGAURJSAJBAIDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27627843

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.435

Distribution Coefficient, logD

3.435

Water Solubility, LogSw

-3.56

Polar Surface Area

66.590

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

V014-8986 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with V014-8986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-8986?
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What is the minimum amount of V014-8986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-8986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-8986
  • 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 V014-8986 available by request