V004-8030 Screening compound: N~1~-[2-(cyclohexyl{[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N~1~-isopentyl-3-(trifluoromethyl)benzamide

V004-8030 Screening compound: N~1~-[2-(cyclohexyl{[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N~1~-isopentyl-3-(trifluoromethyl)benzamide
V004-8030 Screening compound: N~1~-[2-(cyclohexyl{[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N~1~-isopentyl-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-8030
N~1~-[2-(cyclohexyl{[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N~1~-isopentyl-3-(trifluoromethyl)benzamide

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

V004-8030

Molecular Formula

C33H39F4N3O2 (C33 H39 F4 N3 O2)

Compound Name

N~1~-[2-(cyclohexyl{[1-(4-fluorobenzyl)-1H-pyrrol-2-yl]methyl}amino)-2-oxoethyl]-N~1~-isopentyl-3-(trifluoromethyl)benzamide

IUPAC name

n/a

SMILES

CC(C)CCN(CC(N(Cc1cccn1Cc(cc1)ccc1F)C1CCCCC1)=O)C(c1cc(C(F)(F)F)ccc1)=O

InChI

InChI=1S/C33H39F4N3O2/c1-24(2)17-19-39(32(42)26-8-6-9-27(20-26)33(35,36)37)23-31(41)40(29-10-4-3-5-11-29)22-30-12-7-18-38(30)21-25-13-15-28(34)16-14-25/h6-9,12-16,18,20,24,29H,3-5,10-11,17,19,21-23H2,1-2H3

InChI Key

LKXYASPCISERFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19733845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.69

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.092

Distribution Coefficient, logD

7.092

Water Solubility, LogSw

-5.74

Polar Surface Area

33.427

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

-0.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with V004-8030 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-8030?
Check Price and Availability of V004-8030, 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 V004-8030 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-8030
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-8030
  • 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 V004-8030 available by request