V012-8770 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclopentanecarboxamide

V012-8770 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclopentanecarboxamide
V012-8770 Screening compound: N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-8770
N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclopentanecarboxamide

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

V012-8770

Molecular Formula

C30H33FN4O5S (C30 H33 FN4 O5 S)

Compound Name

N-(3-{[(2H-1,3-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclopentanecarboxamide

IUPAC name

N-(3-{[(2H-13-benzodioxol-5-yl)methyl]sulfamoyl}-4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl)cyclopentanecarboxamide

SMILES

O=C(C1CCCC1)Nc(cc1)cc(S(NCc(cc2)cc3c2OCO3)(=O)=O)c1N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C30H33FN4O5S/c31-24-7-3-4-8-25(24)34-13-15-35(16-14-34)26-11-10-23(33-30(36)22-5-1-2-6-22)18-29(26)41(37,38)32-19-21-9-12-27-28(17-21)40-20-39-27/h3-4,7-12,17-18,22,32H,1-2,5-6,13-16,19-20H2,(H,33,36)

InChI Key

XAAWGFBGFISMGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19972593

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

580.68

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.501

Distribution Coefficient, logD

5.500

Water Solubility, LogSw

-5.71

Polar Surface Area

88.872

Acid Dissociation Constant (pKa)

10.04

Base Dissociation Constant (pKb)

5.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.70

References: we are preparing a list of scientific research reports with V012-8770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-8770?
Check Price and Availability of V012-8770, 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 V012-8770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-8770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-8770
  • 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 V012-8770 available by request