V013-1006 Screening compound: N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)-2-methoxyacetamide

V013-1006 Screening compound: N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)-2-methoxyacetamide
V013-1006 Screening compound: N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1006
N-(3-{[N-(butan-2-yl)3-chlorobenzenesulfonamido]methyl}-4-(dimethylamino)phenyl)-2-methoxyacetamide

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

V013-1006

Molecular Formula

C22H30ClN3O4S (C22 H30 ClN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H30ClN3O4S/c1-6-16(2)26(31(28,29)20-9-7-8-18(23)13-20)14-17-12-19(24-22(27)15-30-5)10-11-21(17)25(3)4/h7-13,16H,6,14-15H2,1-5H3,(H,24,27)/t16-/m0/s1

InChI Key

PFPLQPWQQXFISB-INIZCTEOSA-N

MDL Number (MFCD)

MFCD19798721

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

468.02

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.448

Distribution Coefficient, logD

4.447

Water Solubility, LogSw

-4.47

Polar Surface Area

66.057

Acid Dissociation Constant (pKa)

12.43

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

References: we are preparing a list of scientific research reports with V013-1006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1006?
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What is the minimum amount of V013-1006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1006
  • 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 V013-1006 available by request