8013-3095 Screening compound: N~1~-[2-(1-adamantyloxy)ethyl]-2,4-dichloro-5-[(dimethylamino)sulfonyl]benzamide

8013-3095 Screening compound: N~1~-[2-(1-adamantyloxy)ethyl]-2,4-dichloro-5-[(dimethylamino)sulfonyl]benzamide
8013-3095 Screening compound: N~1~-[2-(1-adamantyloxy)ethyl]-2,4-dichloro-5-[(dimethylamino)sulfonyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3095
N~1~-[2-(1-adamantyloxy)ethyl]-2,4-dichloro-5-[(dimethylamino)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

8013-3095

Molecular Formula

C21H28Cl2N2O4S (C21 H28 Cl2 N2 O4 S)

Compound Name

N~1~-[2-(1-adamantyloxy)ethyl]-2,4-dichloro-5-[(dimethylamino)sulfonyl]benzamide

IUPAC name

N-[2-(adamantan-1-yloxy)ethyl]-24-dichloro-5-(dimethylsulfamoyl)benzamide

SMILES

CN(C)S(c(cc(C(NCCOC1(CC(C2)C3)CC3CC2C1)=O)c(Cl)c1)c1Cl)(=O)=O

InChI

InChI=1S/C21H28Cl2N2O4S/c1-25(2)30(27,28)19-8-16(17(22)9-18(19)23)20(26)24-3-4-29-21-10-13-5-14(11-21)7-15(6-13)12-21/h8-9,13-15H,3-7,10-12H2,1-2H3,(H,24,26)

InChI Key

LOOILWDJFSDVRQ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.99

Polar Surface Area

64.418

Acid Dissociation Constant (pKa)

10.61

Base Dissociation Constant (pKb)

-4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.67

References: we are preparing a list of scientific research reports with 8013-3095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3095?
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What is the minimum amount of 8013-3095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3095
  • 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 8013-3095 available by request