8018-3808 Screening compound: 4-{4-[4-(2-fluoro-4,5-dimethoxybenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoyl}morpholine

8018-3808 Screening compound: 4-{4-[4-(2-fluoro-4,5-dimethoxybenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoyl}morpholine
8018-3808 Screening compound: 4-{4-[4-(2-fluoro-4,5-dimethoxybenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoyl}morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-3808
4-{4-[4-(2-fluoro-4,5-dimethoxybenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoyl}morpholine

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

8018-3808

Molecular Formula

C23H27FN4O8S (C23 H27 FN4 O8 S)

Compound Name

4-{4-[4-(2-fluoro-4,5-dimethoxybenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoyl}morpholine

IUPAC name

4-{4-[4-(2-fluoro-45-dimethoxybenzenesulfonyl)piperazin-1-yl]-3-nitrobenzoyl}morpholine

SMILES

COc(c(OC)c1)cc(F)c1S(N(CC1)CCN1c(ccc(C(N1CCOCC1)=O)c1)c1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C23H27FN4O8S/c1-34-20-14-17(24)22(15-21(20)35-2)37(32,33)27-7-5-25(6-8-27)18-4-3-16(13-19(18)28(30)31)23(29)26-9-11-36-12-10-26/h3-4,13-15H,5-12H2,1-2H3

InChI Key

FOIPJTXYDNDCOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07658336

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

538.55

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

1.331

Distribution Coefficient, logD

1.331

Water Solubility, LogSw

-2.40

Polar Surface Area

107.807

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

8018-3808 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-3808 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-3808?
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What is the minimum amount of 8018-3808 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-3808
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-3808
  • 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 8018-3808 available by request