C685-0326 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide

C685-0326 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide
C685-0326 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0326
N~1~-(3,4-dimethoxyphenethyl)-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}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

C685-0326

Molecular Formula

C23H27N3O5S2 (C23 H27 N3 O5 S2)

Compound Name

N~1~-(3,4-dimethoxyphenethyl)-2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}acetamide

IUPAC name

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

SMILES

COc(ccc(CCNC(Cc(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O)c1)c1OC

InChI

InChI=1S/C23H27N3O5S2/c1-30-19-8-5-16(11-20(19)31-2)9-10-24-22(27)12-15-3-6-17(7-4-15)25-23-26-18-13-33(28,29)14-21(18)32-23/h3-8,11,18,21H,9-10,12-14H2,1-2H3,(H,24,27)(H,25,26)

InChI Key

NYRXQCITAVANOY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.62

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.280

Distribution Coefficient, logD

1.279

Water Solubility, LogSw

-2.35

Polar Surface Area

86.644

Acid Dissociation Constant (pKa)

13.96

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C685-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0326?
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What is the minimum amount of C685-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0326
  • 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 C685-0326 available by request