8017-4497 Screening compound: 4-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyrazinesulfonamide

8017-4497 Screening compound: 4-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyrazinesulfonamide
8017-4497 Screening compound: 4-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyrazinesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4497
4-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyrazinesulfonamide

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

8017-4497

Molecular Formula

C18H29N3O6S (C18 H29 N3 O6 S)

Compound Name

4-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-N~1~,N~1~-dimethyltetrahydro-1(2H)-pyrazinesulfonamide

IUPAC name

4-[3-(4-acetyl-2-methoxyphenoxy)-2-hydroxypropyl]-NN-dimethylpiperazine-1-sulfonamide

SMILES

CC(c(cc1)cc(OC)c1OCC(CN(CC1)CCN1S(N(C)C)(=O)=O)O)=O

InChI

InChI=1S/C18H29N3O6S/c1-14(22)15-5-6-17(18(11-15)26-4)27-13-16(23)12-20-7-9-21(10-8-20)28(24,25)19(2)3/h5-6,11,16,23H,7-10,12-13H2,1-4H3/t16-/m0/s1

InChI Key

OWCPMZQTISMLJP-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06016948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.044

Distribution Coefficient, logD

0.003

Water Solubility, LogSw

-2.11

Polar Surface Area

85.511

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.11

8017-4497 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 8017-4497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4497?
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What is the minimum amount of 8017-4497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4497
  • 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 8017-4497 available by request