V001-2086 Screening compound: N-cyclopropyl-N-{[2-(dimethylamino)-5-(2-methoxyacetamido)phenyl]methyl}-2-ethylbutanamide

V001-2086 Screening compound: N-cyclopropyl-N-{[2-(dimethylamino)-5-(2-methoxyacetamido)phenyl]methyl}-2-ethylbutanamide
V001-2086 Screening compound: N-cyclopropyl-N-{[2-(dimethylamino)-5-(2-methoxyacetamido)phenyl]methyl}-2-ethylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-2086
N-cyclopropyl-N-{[2-(dimethylamino)-5-(2-methoxyacetamido)phenyl]methyl}-2-ethylbutanamide

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

V001-2086

Molecular Formula

C21H33N3O3 (C21 H33 N3 O3)

Compound Name

N-cyclopropyl-N-{[2-(dimethylamino)-5-(2-methoxyacetamido)phenyl]methyl}-2-ethylbutanamide

IUPAC name

N-cyclopropyl-N-{[2-(dimethylamino)-5-(2-methoxyacetamido)phenyl]methyl}-2-ethylbutanamide

SMILES

CCC(CC)C(N(Cc(cc(cc1)NC(COC)=O)c1N(C)C)C1CC1)=O

InChI

InChI=1S/C21H33N3O3/c1-6-15(7-2)21(26)24(18-9-10-18)13-16-12-17(22-20(25)14-27-5)8-11-19(16)23(3)4/h8,11-12,15,18H,6-7,9-10,13-14H2,1-5H3,(H,22,25)

InChI Key

BVNIUOHEHSAVOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19798607

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

375.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.613

Distribution Coefficient, logD

3.611

Water Solubility, LogSw

-3.82

Polar Surface Area

50.102

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

8.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

V001-2086 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V001-2086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-2086?
Check Price and Availability of V001-2086, 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 V001-2086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-2086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-2086
  • 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 V001-2086 available by request