V001-4776 Screening compound: N~1~-{2-[benzyl(2-thienylmethyl)amino]-2-oxoethyl}-N~1~-(3-ethoxypropyl)-2-ethylhexanamide

V001-4776 Screening compound: N~1~-{2-[benzyl(2-thienylmethyl)amino]-2-oxoethyl}-N~1~-(3-ethoxypropyl)-2-ethylhexanamide
V001-4776 Screening compound: N~1~-{2-[benzyl(2-thienylmethyl)amino]-2-oxoethyl}-N~1~-(3-ethoxypropyl)-2-ethylhexanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-4776
N~1~-{2-[benzyl(2-thienylmethyl)amino]-2-oxoethyl}-N~1~-(3-ethoxypropyl)-2-ethylhexanamide

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

V001-4776

Molecular Formula

C27H40N2O3S (C27 H40 N2 O3 S)

Compound Name

N~1~-{2-[benzyl(2-thienylmethyl)amino]-2-oxoethyl}-N~1~-(3-ethoxypropyl)-2-ethylhexanamide

IUPAC name

N-({benzyl[(thiophen-2-yl)methyl]carbamoyl}methyl)-N-(3-ethoxypropyl)-2-ethylhexanamide

SMILES

CCCCC(CC)C(N(CCCOCC)CC(N(Cc1cccs1)Cc1ccccc1)=O)=O

InChI

InChI=1S/C27H40N2O3S/c1-4-7-15-24(5-2)27(31)28(17-12-18-32-6-3)22-26(30)29(21-25-16-11-19-33-25)20-23-13-9-8-10-14-23/h8-11,13-14,16,19,24H,4-7,12,15,17-18,20-22H2,1-3H3/t24-/m0/s1

InChI Key

PGKJUWDGABIFJS-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14245386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.69

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.416

Distribution Coefficient, logD

5.416

Water Solubility, LogSw

-5.21

Polar Surface Area

41.379

Acid Dissociation Constant (pKa)

23.06

Base Dissociation Constant (pKb)

-1.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.56

References: we are preparing a list of scientific research reports with V001-4776 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-4776?
Check Price and Availability of V001-4776, 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 V001-4776 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-4776
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-4776
  • 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 V001-4776 available by request