V030-6033 Screening compound: methyl 2-({[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

V030-6033 Screening compound: methyl 2-({[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate
V030-6033 Screening compound: methyl 2-({[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-6033
methyl 2-({[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

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

V030-6033

Molecular Formula

C33H31N3O7S2 (C33 H31 N3 O7 S2)

Compound Name

methyl 2-({[4-({1-[(furan-2-yl)methyl]-2,5-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-2,5-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

IUPAC name

methyl 2-({[4-({1-[(furan-2-yl)methyl]-25-dioxo-4-{[4-(propan-2-yl)phenyl]amino}-25-dihydro-1H-pyrrol-3-yl}sulfanyl)phenyl]sulfamoyl}methyl)benzoate

SMILES

CC(C)c(cc1)ccc1NC(C(N(Cc1ccco1)C1=O)=O)=C1Sc(cc1)ccc1NS(Cc(cccc1)c1C(OC)=O)(=O)=O

InChI

InChI=1S/C33H31N3O7S2/c1-21(2)22-10-12-24(13-11-22)34-29-30(32(38)36(31(29)37)19-26-8-6-18-43-26)44-27-16-14-25(15-17-27)35-45(40,41)20-23-7-4-5-9-28(23)33(39)42-3/h4-18,21,34-35H,19-20H2,1-3H3

InChI Key

PFRHRMIYWOVWRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20497330

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

645.76

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.386

Distribution Coefficient, logD

6.338

Water Solubility, LogSw

-5.60

Polar Surface Area

109.802

Acid Dissociation Constant (pKa)

8.33

Base Dissociation Constant (pKb)

-2.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

References: we are preparing a list of scientific research reports with V030-6033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-6033?
Check Price and Availability of V030-6033, 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 V030-6033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-6033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-6033
  • 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 V030-6033 available by request