8018-3475 Screening compound: 2-{4-chloro-2-[(4-{5-chloro-2-[2-(morpholin-4-yl)-2-oxoethoxy]benzenesulfonyl}-1,4-diazepan-1-yl)sulfonyl]phenoxy}-1-(morpholin-4-yl)ethan-1-one

8018-3475 Screening compound: 2-{4-chloro-2-[(4-{5-chloro-2-[2-(morpholin-4-yl)-2-oxoethoxy]benzenesulfonyl}-1,4-diazepan-1-yl)sulfonyl]phenoxy}-1-(morpholin-4-yl)ethan-1-one
8018-3475 Screening compound: 2-{4-chloro-2-[(4-{5-chloro-2-[2-(morpholin-4-yl)-2-oxoethoxy]benzenesulfonyl}-1,4-diazepan-1-yl)sulfonyl]phenoxy}-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3475
2-{4-chloro-2-[(4-{5-chloro-2-[2-(morpholin-4-yl)-2-oxoethoxy]benzenesulfonyl}-1,4-diazepan-1-yl)sulfonyl]phenoxy}-1-(morpholin-4-yl)ethan-1-one

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

8018-3475

Molecular Formula

C29H36Cl2N4O10S2 (C29 H36 Cl2 N4 O10 S2)

Compound Name

2-{4-chloro-2-[(4-{5-chloro-2-[2-(morpholin-4-yl)-2-oxoethoxy]benzenesulfonyl}-1,4-diazepan-1-yl)sulfonyl]phenoxy}-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-{4-chloro-2-[(4-{5-chloro-2-[2-(morpholin-4-yl)-2-oxoethoxy]benzenesulfonyl}-14-diazepan-1-yl)sulfonyl]phenoxy}-1-(morpholin-4-yl)ethan-1-one

SMILES

O=C(COc(ccc(Cl)c1)c1S(N(CCC1)CCN1S(c(cc(cc1)Cl)c1OCC(N1CCOCC1)=O)(=O)=O)(=O)=O)N1CCOCC1

InChI

InChI=1S/C29H36Cl2N4O10S2/c30-22-2-4-24(44-20-28(36)32-10-14-42-15-11-32)26(18-22)46(38,39)34-6-1-7-35(9-8-34)47(40,41)27-19-23(31)3-5-25(27)45-21-29(37)33-12-16-43-17-13-33/h2-5,18-19H,1,6-17,20-21H2

InChI Key

XDMIAJCIGRHIPV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

735.66

Hydrogen Bond Acceptors Count

18.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

0.643

Distribution Coefficient, logD

0.643

Water Solubility, LogSw

-2.54

Polar Surface Area

127.030

Acid Dissociation Constant (pKa)

24.84

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

51.70

References: we are preparing a list of scientific research reports with 8018-3475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3475?
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What is the minimum amount of 8018-3475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3475
  • 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 8018-3475 available by request