C761-0849 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorophenyl)-1-adamantanecarboxamide

C761-0849 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorophenyl)-1-adamantanecarboxamide
C761-0849 Screening compound: N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorophenyl)-1-adamantanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C761-0849
N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorophenyl)-1-adamantanecarboxamide

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

C761-0849

Molecular Formula

C21H24FNO3S (C21 H24 FNO3 S)

Compound Name

N~1~-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-N~1~-(4-fluorophenyl)-1-adamantanecarboxamide

IUPAC name

N-(11-dioxo-23-dihydro-1lambda6-thiophen-3-yl)-N-(4-fluorophenyl)adamantane-1-carboxamide

SMILES

O=C(C1(CC(C2)C3)CC3CC2C1)N(C(C1)C=CS1(=O)=O)c(cc1)ccc1F

InChI

InChI=1S/C21H24FNO3S/c22-17-1-3-18(4-2-17)23(19-5-6-27(25,26)13-19)20(24)21-10-14-7-15(11-21)9-16(8-14)12-21/h1-6,14-16,19H,7-13H2/t14?,15?,16?,19-,21?/m0/s1

InChI Key

KEKXYYLRQDWXIU-IXYLRAAXSA-N

MDL Number (MFCD)

MFCD05898695

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.28

Polar Surface Area

43.413

Acid Dissociation Constant (pKa)

21.46

Base Dissociation Constant (pKb)

-5.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

C761-0849 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C761-0849 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C761-0849?
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What is the minimum amount of C761-0849 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C761-0849
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C761-0849
  • 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 C761-0849 available by request