V001-1539 Screening compound: N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-(N-propyl4-nitrobenzenesulfonamido)acetamide

V001-1539 Screening compound: N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-(N-propyl4-nitrobenzenesulfonamido)acetamide
V001-1539 Screening compound: N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-(N-propyl4-nitrobenzenesulfonamido)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V001-1539
N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-(N-propyl4-nitrobenzenesulfonamido)acetamide

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

V001-1539

Molecular Formula

C24H27N3O5S2 (C24 H27 N3 O5 S2)

Compound Name

N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-(N-propyl4-nitrobenzenesulfonamido)acetamide

IUPAC name

N-benzyl-N-[(3-methylthiophen-2-yl)methyl]-2-(N-propyl4-nitrobenzenesulfonamido)acetamide

SMILES

CCCN(CC(N(Cc1c(C)ccs1)Cc1ccccc1)=O)S(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C24H27N3O5S2/c1-3-14-26(34(31,32)22-11-9-21(10-12-22)27(29)30)18-24(28)25(16-20-7-5-4-6-8-20)17-23-19(2)13-15-33-23/h4-13,15H,3,14,16-18H2,1-2H3

InChI Key

MTJLMQMEURLBMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19751264

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.802

Distribution Coefficient, logD

4.802

Water Solubility, LogSw

-4.52

Polar Surface Area

81.676

Acid Dissociation Constant (pKa)

21.86

Base Dissociation Constant (pKb)

-4.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

V001-1539 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V001-1539 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V001-1539?
Check Price and Availability of V001-1539, 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 V001-1539 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V001-1539
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V001-1539
  • 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 V001-1539 available by request