V002-9622 Screening compound: N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}-3,5,5-trimethyl-N~1~-(2-morpholinoethyl)hexanamide

V002-9622 Screening compound: N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}-3,5,5-trimethyl-N~1~-(2-morpholinoethyl)hexanamide
V002-9622 Screening compound: N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}-3,5,5-trimethyl-N~1~-(2-morpholinoethyl)hexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-9622
N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}-3,5,5-trimethyl-N~1~-(2-morpholinoethyl)hexanamide

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

V002-9622

Molecular Formula

C29H42FN3O3S (C29 H42 FN3 O3 S)

Compound Name

N~1~-{2-[(4-fluorobenzyl)(2-thienylmethyl)amino]-2-oxoethyl}-3,5,5-trimethyl-N~1~-(2-morpholinoethyl)hexanamide

IUPAC name

N-({[(4-fluorophenyl)methyl][(thiophen-2-yl)methyl]carbamoyl}methyl)-355-trimethyl-N-[2-(morpholin-4-yl)ethyl]hexanamide

SMILES

CC(CC(C)(C)C)CC(N(CCN1CCOCC1)CC(N(Cc1cccs1)Cc(cc1)ccc1F)=O)=O

InChI

InChI=1S/C29H42FN3O3S/c1-23(19-29(2,3)4)18-27(34)32(12-11-31-13-15-36-16-14-31)22-28(35)33(21-26-6-5-17-37-26)20-24-7-9-25(30)10-8-24/h5-10,17,23H,11-16,18-22H2,1-4H3/t23-/m1/s1

InChI Key

XJEBLSFIKIBSPZ-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

531.74

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.416

Distribution Coefficient, logD

4.390

Water Solubility, LogSw

-4.09

Polar Surface Area

44.494

Acid Dissociation Constant (pKa)

23.46

Base Dissociation Constant (pKb)

6.19

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.62

References: we are preparing a list of scientific research reports with V002-9622 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-9622?
Check Price and Availability of V002-9622, 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 V002-9622 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-9622
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-9622
  • 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 V002-9622 available by request