V027-7313 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide

V027-7313 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide
V027-7313 Screening compound: N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-7313
N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide

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

V027-7313

Molecular Formula

C29H29N3O7 (C29 H29 N3 O7)

Compound Name

N-{2-[5-(2H-1,3-benzodioxol-5-yl)-3-(2,4-dimethoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide

IUPAC name

N-{2-[5-(2H-13-benzodioxol-5-yl)-3-(24-dimethoxyphenyl)-45-dihydro-1H-pyrazol-1-yl]-2-oxoethyl}-4-methoxy-N-methylbenzamide

SMILES

CN(CC(N(C(C1)c(cc2)cc3c2OCO3)N=C1c(ccc(OC)c1)c1OC)=O)C(c(cc1)ccc1OC)=O

InChI

InChI=1S/C29H29N3O7/c1-31(29(34)18-5-8-20(35-2)9-6-18)16-28(33)32-24(19-7-12-25-27(13-19)39-17-38-25)15-23(30-32)22-11-10-21(36-3)14-26(22)37-4/h5-14,24H,15-17H2,1-4H3/t24-/m0/s1

InChI Key

YUKYXXBERACFLC-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19800747

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.982

Distribution Coefficient, logD

3.982

Water Solubility, LogSw

-4.26

Polar Surface Area

82.843

Acid Dissociation Constant (pKa)

19.12

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with V027-7313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-7313?
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What is the minimum amount of V027-7313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-7313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-7313
  • 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 V027-7313 available by request