V013-1052 Screening compound: N-{3-[(N-benzyl-2-methylpropanamido)methyl]-4-(dimethylamino)phenyl}-2-chlorobenzamide

V013-1052 Screening compound: N-{3-[(N-benzyl-2-methylpropanamido)methyl]-4-(dimethylamino)phenyl}-2-chlorobenzamide
V013-1052 Screening compound: N-{3-[(N-benzyl-2-methylpropanamido)methyl]-4-(dimethylamino)phenyl}-2-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1052
N-{3-[(N-benzyl-2-methylpropanamido)methyl]-4-(dimethylamino)phenyl}-2-chlorobenzamide

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

V013-1052

Molecular Formula

C27H30ClN3O2 (C27 H30 ClN3 O2)

Compound Name

N-{3-[(N-benzyl-2-methylpropanamido)methyl]-4-(dimethylamino)phenyl}-2-chlorobenzamide

IUPAC name

N-{3-[(N-benzyl-2-methylpropanamido)methyl]-4-(dimethylamino)phenyl}-2-chlorobenzamide

SMILES

CC(C)C(N(Cc1ccccc1)Cc(cc(cc1)NC(c(cccc2)c2Cl)=O)c1N(C)C)=O

InChI

InChI=1S/C27H30ClN3O2/c1-19(2)27(33)31(17-20-10-6-5-7-11-20)18-21-16-22(14-15-25(21)30(3)4)29-26(32)23-12-8-9-13-24(23)28/h5-16,19H,17-18H2,1-4H3,(H,29,32)

InChI Key

FYKPKYNJTWCZNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19797404

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.01

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

5.521

Distribution Coefficient, logD

5.517

Water Solubility, LogSw

-5.74

Polar Surface Area

42.044

Acid Dissociation Constant (pKa)

10.01

Base Dissociation Constant (pKb)

5.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with V013-1052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1052?
Check Price and Availability of V013-1052, 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 V013-1052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1052
  • 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 V013-1052 available by request