V010-0013 Screening compound: 3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]-N-(1-phenylpropyl)propanamide

V010-0013 Screening compound: 3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]-N-(1-phenylpropyl)propanamide
V010-0013 Screening compound: 3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]-N-(1-phenylpropyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V010-0013
3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]-N-(1-phenylpropyl)propanamide

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

V010-0013

Molecular Formula

C30H30FN3O2 (C30 H30 FN3 O2)

Compound Name

3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]-N-(1-phenylpropyl)propanamide

IUPAC name

3-[1-(4-acetamidophenyl)-5-(4-fluorophenyl)-1H-pyrrol-2-yl]-N-(1-phenylpropyl)propanamide

SMILES

CCC(c1ccccc1)NC(CCc1ccc(-c(cc2)ccc2F)n1-c(cc1)ccc1NC(C)=O)=O

InChI

InChI=1S/C30H30FN3O2/c1-3-28(22-7-5-4-6-8-22)33-30(36)20-18-27-17-19-29(23-9-11-24(31)12-10-23)34(27)26-15-13-25(14-16-26)32-21(2)35/h4-17,19,28H,3,18,20H2,1-2H3,(H,32,35)(H,33,36)/t28-/m0/s1

InChI Key

OXYLGRCCRVZZNO-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19961694

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.839

Distribution Coefficient, logD

5.839

Water Solubility, LogSw

-5.61

Polar Surface Area

48.488

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

3.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

V010-0013 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 V010-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V010-0013?
Check Price and Availability of V010-0013, 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 V010-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V010-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V010-0013
  • 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 V010-0013 available by request