V002-1412 Screening compound: N-{3-[(2,2-dimethyl-N-propylpropanamido)methyl]-4-(dimethylamino)phenyl}cyclopropanecarboxamide

V002-1412 Screening compound: N-{3-[(2,2-dimethyl-N-propylpropanamido)methyl]-4-(dimethylamino)phenyl}cyclopropanecarboxamide
V002-1412 Screening compound: N-{3-[(2,2-dimethyl-N-propylpropanamido)methyl]-4-(dimethylamino)phenyl}cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-1412
N-{3-[(2,2-dimethyl-N-propylpropanamido)methyl]-4-(dimethylamino)phenyl}cyclopropanecarboxamide

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

V002-1412

Molecular Formula

C21H33N3O2 (C21 H33 N3 O2)

Compound Name

N-{3-[(2,2-dimethyl-N-propylpropanamido)methyl]-4-(dimethylamino)phenyl}cyclopropanecarboxamide

IUPAC name

N-{3-[(22-dimethyl-N-propylpropanamido)methyl]-4-(dimethylamino)phenyl}cyclopropanecarboxamide

SMILES

CCCN(Cc(cc(cc1)NC(C2CC2)=O)c1N(C)C)C(C(C)(C)C)=O

InChI

InChI=1S/C21H33N3O2/c1-7-12-24(20(26)21(2,3)4)14-16-13-17(10-11-18(16)23(5)6)22-19(25)15-8-9-15/h10-11,13,15H,7-9,12,14H2,1-6H3,(H,22,25)

InChI Key

WYALBJZFDFHPBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19794438

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

359.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.091

Distribution Coefficient, logD

4.089

Water Solubility, LogSw

-4.06

Polar Surface Area

42.818

Acid Dissociation Constant (pKa)

12.46

Base Dissociation Constant (pKb)

8.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.90

V002-1412 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V002-1412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-1412?
Check Price and Availability of V002-1412, 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 V002-1412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-1412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-1412
  • 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 V002-1412 available by request