C685-0370 Screening compound: 2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(3-isopropoxypropyl)acetamide

C685-0370 Screening compound: 2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(3-isopropoxypropyl)acetamide
C685-0370 Screening compound: 2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(3-isopropoxypropyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C685-0370
2-{4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]phenyl}-N~1~-(3-isopropoxypropyl)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

C685-0370

Molecular Formula

C19H27N3O4S2 (C19 H27 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OCCCNC(Cc(cc1)ccc1NC1=NC(CS(C2)(=O)=O)C2S1)=O

InChI

InChI=1S/C19H27N3O4S2/c1-13(2)26-9-3-8-20-18(23)10-14-4-6-15(7-5-14)21-19-22-16-11-28(24,25)12-17(16)27-19/h4-7,13,16-17H,3,8-12H2,1-2H3,(H,20,23)(H,21,22)

InChI Key

HUNLWHQDAYOPJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.995

Distribution Coefficient, logD

0.995

Water Solubility, LogSw

-2.18

Polar Surface Area

78.856

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.90

References: we are preparing a list of scientific research reports with C685-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C685-0370?
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What is the minimum amount of C685-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C685-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C685-0370
  • 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 C685-0370 available by request