V013-4045 Screening compound: N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)propanamide

V013-4045 Screening compound: N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)propanamide
V013-4045 Screening compound: N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-4045
N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)propanamide

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

V013-4045

Molecular Formula

C22H30ClN3O3S (C22 H30 ClN3 O3 S)

Compound Name

N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)propanamide

IUPAC name

N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)propanamide

SMILES

CCC(C)N(Cc(cc(cc1)NC(CC)=O)c1N(C)C)S(c1cccc(Cl)c1)(=O)=O

InChI

InChI=1S/C22H30ClN3O3S/c1-6-16(3)26(30(28,29)20-10-8-9-18(23)14-20)15-17-13-19(24-22(27)7-2)11-12-21(17)25(4)5/h8-14,16H,6-7,15H2,1-5H3,(H,24,27)/t16-/m0/s1

InChI Key

SHOWNMRLVNYREL-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19798939

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

452.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.997

Distribution Coefficient, logD

4.995

Water Solubility, LogSw

-4.93

Polar Surface Area

57.634

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

V013-4045 in Drug Discovery

Included in Screening Libraries

Neuropeptide S Library (2850 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Nervous system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V013-4045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-4045?
Check Price and Availability of V013-4045, 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 V013-4045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-4045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-4045
  • 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 V013-4045 available by request