V013-1040 Screening compound: N-(CYCLOPROPYLMETHYL)-N-{[2-(DIMETHYLAMINO)-5-(PROPANE-1-SULFONAMIDO)PHENYL]METHYL}-4-FLUOROBENZENE-1-SULFONAMIDE

V013-1040 Screening compound: N-(CYCLOPROPYLMETHYL)-N-{[2-(DIMETHYLAMINO)-5-(PROPANE-1-SULFONAMIDO)PHENYL]METHYL}-4-FLUOROBENZENE-1-SULFONAMIDE
V013-1040 Screening compound: N-(CYCLOPROPYLMETHYL)-N-{[2-(DIMETHYLAMINO)-5-(PROPANE-1-SULFONAMIDO)PHENYL]METHYL}-4-FLUOROBENZENE-1-SULFONAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1040
N-(CYCLOPROPYLMETHYL)-N-{[2-(DIMETHYLAMINO)-5-(PROPANE-1-SULFONAMIDO)PHENYL]METHYL}-4-FLUOROBENZENE-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

V013-1040

Molecular Formula

C22H30FN3O4S2 (C22 H30 FN3 O4 S2)

Compound Name

N-(CYCLOPROPYLMETHYL)-N-{[2-(DIMETHYLAMINO)-5-(PROPANE-1-SULFONAMIDO)PHENYL]METHYL}-4-FLUOROBENZENE-1-SULFONAMIDE

IUPAC name

n/a

SMILES

CCCS(Nc(cc1)cc(CN(CC2CC2)S(c(cc2)ccc2F)(=O)=O)c1N(C)C)(=O)=O

InChI

InChI=1S/C22H30FN3O4S2/c1-4-13-31(27,28)24-20-9-12-22(25(2)3)18(14-20)16-26(15-17-5-6-17)32(29,30)21-10-7-19(23)8-11-21/h7-12,14,17,24H,4-6,13,15-16H2,1-3H3

InChI Key

QZZCJYHHWNJDKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19999100

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

483.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.372

Distribution Coefficient, logD

4.345

Water Solubility, LogSw

-4.29

Polar Surface Area

76.918

Acid Dissociation Constant (pKa)

8.83

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.50

V013-1040 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V013-1040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1040?
Check Price and Availability of V013-1040, 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 V013-1040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1040
  • 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 V013-1040 available by request