V014-0548 Screening compound: N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide

V014-0548 Screening compound: N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide
V014-0548 Screening compound: N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0548
N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide

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

V014-0548

Molecular Formula

C23H27N3O4S (C23 H27 N3 O4 S)

Compound Name

N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide

IUPAC name

N-[(1-benzyl-1H-pyrrol-2-yl)methyl]-4-nitro-N-pentylbenzene-1-sulfonamide

SMILES

CCCCCN(Cc1cccn1Cc1ccccc1)S(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C23H27N3O4S/c1-2-3-7-17-25(31(29,30)23-14-12-21(13-15-23)26(27)28)19-22-11-8-16-24(22)18-20-9-5-4-6-10-20/h4-6,8-16H,2-3,7,17-19H2,1H3

InChI Key

YVIRWAVBLHOQSR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14242998

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.623

Distribution Coefficient, logD

5.623

Water Solubility, LogSw

-5.43

Polar Surface Area

67.044

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

-4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V014-0548 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0548?
Check Price and Availability of V014-0548, 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 V014-0548 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0548
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0548
  • 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 V014-0548 available by request