V030-3126 Screening compound: 3-(2H-1,3-BENZODIOXOL-5-YL)-4-[4-(4-METHYLBENZAMIDO)PHENYL]-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-YL ACETATE

V030-3126 Screening compound: 3-(2H-1,3-BENZODIOXOL-5-YL)-4-[4-(4-METHYLBENZAMIDO)PHENYL]-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-YL ACETATE
V030-3126 Screening compound: 3-(2H-1,3-BENZODIOXOL-5-YL)-4-[4-(4-METHYLBENZAMIDO)PHENYL]-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-YL ACETATE alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-3126
3-(2H-1,3-BENZODIOXOL-5-YL)-4-[4-(4-METHYLBENZAMIDO)PHENYL]-1-(3-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

V030-3126

Molecular Formula

C33H27N3O5 (C33 H27 N3 O5)

Compound Name

3-(2H-1,3-BENZODIOXOL-5-YL)-4-[4-(4-METHYLBENZAMIDO)PHENYL]-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-YL ACETATE

IUPAC name

n/a

SMILES

CC(Oc(n(-c1cc(C)ccc1)nc1-c(cc2)cc3c2OCO3)c1-c(cc1)ccc1NC(c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C33H27N3O5/c1-20-7-9-24(10-8-20)32(38)34-26-14-11-23(12-15-26)30-31(25-13-16-28-29(18-25)40-19-39-28)35-36(33(30)41-22(3)37)27-6-4-5-21(2)17-27/h4-18H,19H2,1-3H3,(H,34,38)

InChI Key

MKGZIKGRSLQHRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19868628

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

545.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.017

Distribution Coefficient, logD

7.016

Water Solubility, LogSw

-5.65

Polar Surface Area

74.781

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.10

V030-3126 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with V030-3126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-3126?
Check Price and Availability of V030-3126, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V030-3126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-3126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-3126
  • 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 V030-3126 available by request