8016-0512 Screening compound: 2,4-dichloro-N~1~-(3,4-dimethoxyphenethyl)-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}benzamide

8016-0512 Screening compound: 2,4-dichloro-N~1~-(3,4-dimethoxyphenethyl)-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}benzamide
8016-0512 Screening compound: 2,4-dichloro-N~1~-(3,4-dimethoxyphenethyl)-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0512
2,4-dichloro-N~1~-(3,4-dimethoxyphenethyl)-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}benzamide

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

8016-0512

Molecular Formula

C22H26Cl2N2O6S (C22 H26 Cl2 N2 O6 S)

Compound Name

2,4-dichloro-N~1~-(3,4-dimethoxyphenethyl)-5-{[(tetrahydro-2-furanylmethyl)amino]sulfonyl}benzamide

IUPAC name

24-dichloro-N-[2-(34-dimethoxyphenyl)ethyl]-5-{[(oxolan-2-yl)methyl]sulfamoyl}benzamide

SMILES

COc(ccc(CCNC(c(c(Cl)c1)cc(S(NCC2OCCC2)(=O)=O)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C22H26Cl2N2O6S/c1-30-19-6-5-14(10-20(19)31-2)7-8-25-22(27)16-11-21(18(24)12-17(16)23)33(28,29)26-13-15-4-3-9-32-15/h5-6,10-12,15,26H,3-4,7-9,13H2,1-2H3,(H,25,27)/t15-/m1/s1

InChI Key

QRNDEIWTAPOIHL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD05259951

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.898

Distribution Coefficient, logD

2.898

Water Solubility, LogSw

-3.71

Polar Surface Area

90.167

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with 8016-0512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0512?
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What is the minimum amount of 8016-0512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0512
  • 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 8016-0512 available by request