V015-4512 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate

V015-4512 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate
V015-4512 Screening compound: 4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound V015-4512
4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate

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

V015-4512

Molecular Formula

C34H29N3O7 (C34 H29 N3 O7)

Compound Name

4-[4-(2H-1,3-benzodioxole-5-amido)phenyl]-3-(3,5-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate

IUPAC name

4-[4-(2H-13-benzodioxole-5-amido)phenyl]-3-(35-dimethoxyphenyl)-1-(4-methylphenyl)-1H-pyrazol-5-yl acetate

SMILES

CC(Oc(n(-c1ccc(C)cc1)nc1-c2cc(OC)cc(OC)c2)c1-c(cc1)ccc1NC(c(cc1)cc2c1OCO2)=O)=O

InChI

InChI=1S/C34H29N3O7/c1-20-5-12-26(13-6-20)37-34(44-21(2)38)31(32(36-37)24-15-27(40-3)18-28(16-24)41-4)22-7-10-25(11-8-22)35-33(39)23-9-14-29-30(17-23)43-19-42-29/h5-18H,19H2,1-4H3,(H,35,39)

InChI Key

ZZTBEGUTWPGIAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.666

Distribution Coefficient, logD

6.666

Water Solubility, LogSw

-5.67

Polar Surface Area

89.868

Acid Dissociation Constant (pKa)

12.32

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.70

References: we are preparing a list of scientific research reports with V015-4512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V015-4512?
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What is the minimum amount of V015-4512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V015-4512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V015-4512
  • 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 V015-4512 available by request