3338-5930 Screening compound: methyl N-{4-[(4-{4-[(methoxycarbonyl)amino]benzenesulfonyl}piperazin-1-yl)sulfonyl]phenyl}carbamate

3338-5930 Screening compound: methyl N-{4-[(4-{4-[(methoxycarbonyl)amino]benzenesulfonyl}piperazin-1-yl)sulfonyl]phenyl}carbamate
3338-5930 Screening compound: methyl N-{4-[(4-{4-[(methoxycarbonyl)amino]benzenesulfonyl}piperazin-1-yl)sulfonyl]phenyl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3338-5930
methyl N-{4-[(4-{4-[(methoxycarbonyl)amino]benzenesulfonyl}piperazin-1-yl)sulfonyl]phenyl}carbamate

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

3338-5930

Molecular Formula

C20H24N4O8S2 (C20 H24 N4 O8 S2)

Compound Name

methyl N-{4-[(4-{4-[(methoxycarbonyl)amino]benzenesulfonyl}piperazin-1-yl)sulfonyl]phenyl}carbamate

IUPAC name

methyl N-{4-[(4-{4-[(methoxycarbonyl)amino]benzenesulfonyl}piperazin-1-yl)sulfonyl]phenyl}carbamate

SMILES

COC(Nc(cc1)ccc1S(N(CC1)CCN1S(c(cc1)ccc1NC(OC)=O)(=O)=O)(=O)=O)=O

InChI

InChI=1S/C20H24N4O8S2/c1-31-19(25)21-15-3-7-17(8-4-15)33(27,28)23-11-13-24(14-12-23)34(29,30)18-9-5-16(6-10-18)22-20(26)32-2/h3-10H,11-14H2,1-2H3,(H,21,25)(H,22,26)

InChI Key

UYYMUUIHIZMWGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02656009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.56

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.856

Distribution Coefficient, logD

1.845

Water Solubility, LogSw

-2.64

Polar Surface Area

127.196

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

3338-5930 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3338-5930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3338-5930?
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What is the minimum amount of 3338-5930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3338-5930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3338-5930
  • 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 3338-5930 available by request