8016-4434 Screening compound: N~1~-{2-[4,5-dimethoxy-2-({[4-(3-oxo-1-pyrrolidinyl)phenyl]sulfonyl}amino)benzyl]-4,5-dimethoxyphenyl}-4-(3-oxo-1-pyrrolidinyl)-1-benzenesulfonamide

8016-4434 Screening compound: N~1~-{2-[4,5-dimethoxy-2-({[4-(3-oxo-1-pyrrolidinyl)phenyl]sulfonyl}amino)benzyl]-4,5-dimethoxyphenyl}-4-(3-oxo-1-pyrrolidinyl)-1-benzenesulfonamide
8016-4434 Screening compound: N~1~-{2-[4,5-dimethoxy-2-({[4-(3-oxo-1-pyrrolidinyl)phenyl]sulfonyl}amino)benzyl]-4,5-dimethoxyphenyl}-4-(3-oxo-1-pyrrolidinyl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-4434
N~1~-{2-[4,5-dimethoxy-2-({[4-(3-oxo-1-pyrrolidinyl)phenyl]sulfonyl}amino)benzyl]-4,5-dimethoxyphenyl}-4-(3-oxo-1-pyrrolidinyl)-1-benzenesulfonamide

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

8016-4434

Molecular Formula

C37H40N4O10S2 (C37 H40 N4 O10 S2)

Compound Name

N~1~-{2-[4,5-dimethoxy-2-({[4-(3-oxo-1-pyrrolidinyl)phenyl]sulfonyl}amino)benzyl]-4,5-dimethoxyphenyl}-4-(3-oxo-1-pyrrolidinyl)-1-benzenesulfonamide

IUPAC name

N-[2-({45-dimethoxy-2-[4-(3-oxopyrrolidin-1-yl)benzenesulfonamido]phenyl}methyl)-45-dimethoxyphenyl]-4-(3-oxopyrrolidin-1-yl)benzene-1-sulfonamide

SMILES

COc(c(OC)c1)cc(Cc(cc(c(OC)c2)OC)c2NS(c(cc2)ccc2N(CC2)CC2=O)(=O)=O)c1NS(c(cc1)ccc1N(CC1)CC1=O)(=O)=O

InChI

InChI=1S/C37H40N4O10S2/c1-48-34-18-24(32(20-36(34)50-3)38-52(44,45)30-9-5-26(6-10-30)40-15-13-28(42)22-40)17-25-19-35(49-2)37(51-4)21-33(25)39-53(46,47)31-11-7-27(8-12-31)41-16-14-29(43)23-41/h5-12,18-21,38-39H,13-17,22-23H2,1-4H3

InChI Key

WJJCGWSNLSAJOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

764.88

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

3.643

Distribution Coefficient, logD

3.617

Water Solubility, LogSw

-3.95

Polar Surface Area

144.595

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.73

8016-4434 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with 8016-4434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-4434?
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What is the minimum amount of 8016-4434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-4434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-4434
  • 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 8016-4434 available by request