K248-0027 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

K248-0027 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide
K248-0027 Screening compound: N~1~-(3,4-dimethoxyphenethyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K248-0027
N~1~-(3,4-dimethoxyphenethyl)-4-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)amino]benzamide

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

K248-0027

Molecular Formula

C22H25N3O5S2 (C22 H25 N3 O5 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C22H25N3O5S2/c1-29-18-8-3-14(11-19(18)30-2)9-10-23-21(26)15-4-6-16(7-5-15)24-22-25-17-12-32(27,28)13-20(17)31-22/h3-8,11,17,20H,9-10,12-13H2,1-2H3,(H,23,26)(H,24,25)

InChI Key

GCRAPGVMIIQFDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444925

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.59

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.553

Distribution Coefficient, logD

1.553

Water Solubility, LogSw

-2.47

Polar Surface Area

86.857

Acid Dissociation Constant (pKa)

12.87

Base Dissociation Constant (pKb)

3.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

References: we are preparing a list of scientific research reports with K248-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K248-0027?
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What is the minimum amount of K248-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K248-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K248-0027
  • 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 K248-0027 available by request