C685-0540 Screening compound: 3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methyl-N~1~-pentylbenzamide

C685-0540 Screening compound: 3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methyl-N~1~-pentylbenzamide
C685-0540 Screening compound: 3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methyl-N~1~-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0540
3-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]-4-methyl-N~1~-pentylbenzamide

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

C685-0540

Molecular Formula

C18H25N3O3S2 (C18 H25 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCCCCNC(c1cc(NC2=NC(CS(C3)(=O)=O)C3S2)c(C)cc1)=O

InChI

InChI=1S/C18H25N3O3S2/c1-3-4-5-8-19-17(22)13-7-6-12(2)14(9-13)20-18-21-15-10-26(23,24)11-16(15)25-18/h6-7,9,15-16H,3-5,8,10-11H2,1-2H3,(H,19,22)(H,20,21)

InChI Key

SPLXPSCLDSEQPF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14782902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.714

Distribution Coefficient, logD

2.714

Water Solubility, LogSw

-3.16

Polar Surface Area

71.170

Acid Dissociation Constant (pKa)

13.40

Base Dissociation Constant (pKb)

3.18

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

References: we are preparing a list of scientific research reports with C685-0540 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0540?
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What is the minimum amount of C685-0540 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0540
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0540
  • 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 C685-0540 available by request