V017-4702 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

V017-4702 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide
V017-4702 Screening compound: N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-4702
N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

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

V017-4702

Molecular Formula

C38H48FN3O2 (C38 H48 FN3 O2)

Compound Name

N-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(2,4-dimethylphenyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

IUPAC name

N-{4-[24-bis(2-methylbutan-2-yl)phenoxy]butyl}-1-(24-dimethylphenyl)-3-(2-fluorophenyl)-1H-pyrazole-5-carboxamide

SMILES

CCC(C)(C)c(cc1)cc(C(C)(C)CC)c1OCCCCNC(c1cc(-c(cccc2)c2F)nn1-c1c(C)cc(C)cc1)=O

InChI

InChI=1S/C38H48FN3O2/c1-9-37(5,6)28-18-20-35(30(24-28)38(7,8)10-2)44-22-14-13-21-40-36(43)34-25-32(29-15-11-12-16-31(29)39)41-42(34)33-19-17-26(3)23-27(33)4/h11-12,15-20,23-25H,9-10,13-14,21-22H2,1-8H3,(H,40,43)

InChI Key

TYPCOKDOQVEJIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14242216

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

597.82

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

10.345

Distribution Coefficient, logD

10.345

Water Solubility, LogSw

-5.68

Polar Surface Area

44.520

Acid Dissociation Constant (pKa)

16.32

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.10

References: we are preparing a list of scientific research reports with V017-4702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-4702?
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What is the minimum amount of V017-4702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-4702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-4702
  • 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 V017-4702 available by request