8020-8984 Screening compound: N~1~-{4-[(1-adamantylamino)sulfonyl]phenyl}-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide

8020-8984 Screening compound: N~1~-{4-[(1-adamantylamino)sulfonyl]phenyl}-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
8020-8984 Screening compound: N~1~-{4-[(1-adamantylamino)sulfonyl]phenyl}-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8984
N~1~-{4-[(1-adamantylamino)sulfonyl]phenyl}-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide

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

8020-8984

Molecular Formula

C20H25N5O3S2 (C20 H25 N5 O3 S2)

Compound Name

N~1~-{4-[(1-adamantylamino)sulfonyl]phenyl}-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide

IUPAC name

n/a

SMILES

O=C(CSc1cnn[nH]1)Nc(cc1)ccc1S(NC1(CC(C2)C3)CC3CC2C1)(=O)=O

InChI

InChI=1S/C20H25N5O3S2/c26-18(12-29-19-11-21-25-23-19)22-16-1-3-17(4-2-16)30(27,28)24-20-8-13-5-14(9-20)7-15(6-13)10-20/h1-4,11,13-15,24H,5-10,12H2,(H,22,26)(H,21,23,25)

InChI Key

DTCRSFBEFJUTAA-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.407

Distribution Coefficient, logD

3.347

Water Solubility, LogSw

-3.67

Polar Surface Area

100.977

Acid Dissociation Constant (pKa)

8.75

Base Dissociation Constant (pKb)

0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

References: we are preparing a list of scientific research reports with 8020-8984 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8984?
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What is the minimum amount of 8020-8984 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8984
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8984
  • 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 8020-8984 available by request