V027-3779 Screening compound: 4-fluoro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide

V027-3779 Screening compound: 4-fluoro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide
V027-3779 Screening compound: 4-fluoro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-3779
4-fluoro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-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

V027-3779

Molecular Formula

C29H30FN3O5S2 (C29 H30 FN3 O5 S2)

Compound Name

4-fluoro-N-(4-{[1-(3-methoxypropyl)-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide

IUPAC name

4-fluoro-N-(4-{[1-(3-methoxypropyl)-25-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-25-dihydro-1H-pyrrol-3-yl]sulfanyl}phenyl)benzene-1-sulfonamide

SMILES

CC(C)c(cc1)ccc1NC(C(N(CCCOC)C1=O)=O)=C1Sc(cc1)ccc1NS(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C29H30FN3O5S2/c1-19(2)20-5-9-22(10-6-20)31-26-27(29(35)33(28(26)34)17-4-18-38-3)39-24-13-11-23(12-14-24)32-40(36,37)25-15-7-21(30)8-16-25/h5-16,19,31-32H,4,17-18H2,1-3H3

InChI Key

OLRKGTXRBHQZRP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20496905

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

583.7

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.621

Distribution Coefficient, logD

5.527

Water Solubility, LogSw

-5.26

Polar Surface Area

87.845

Acid Dissociation Constant (pKa)

8.02

Base Dissociation Constant (pKb)

2.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.10

References: we are preparing a list of scientific research reports with V027-3779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-3779?
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What is the minimum amount of V027-3779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-3779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-3779
  • 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 V027-3779 available by request