C685-0567 Screening compound: N~1~-[2-(dimethylamino)ethyl]-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide

C685-0567 Screening compound: N~1~-[2-(dimethylamino)ethyl]-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide
C685-0567 Screening compound: N~1~-[2-(dimethylamino)ethyl]-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0567
N~1~-[2-(dimethylamino)ethyl]-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide

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

C685-0567

Molecular Formula

C17H24N4O3S2 (C17 H24 N4 O3 S2)

Compound Name

N~1~-[2-(dimethylamino)ethyl]-3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methylbenzamide

IUPAC name

N-[2-(dimethylamino)ethyl]-3-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}amino)-4-methylbenzamide

SMILES

Cc(ccc(C(NCCN(C)C)=O)c1)c1NC1=NC(CS(C2)(=O)=O)C2S1

InChI

InChI=1S/C17H24N4O3S2/c1-11-4-5-12(16(22)18-6-7-21(2)3)8-13(11)19-17-20-14-9-26(23,24)10-15(14)25-17/h4-5,8,14-15H,6-7,9-10H2,1-3H3,(H,18,22)(H,19,20)

InChI Key

KSYPGYNNFCHWGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.809

Distribution Coefficient, logD

-0.031

Water Solubility, LogSw

-2.33

Polar Surface Area

75.036

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

8.17

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

C685-0567 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C685-0567 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0567?
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What is the minimum amount of C685-0567 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0567
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0567
  • 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 C685-0567 available by request