C998-0320 Screening compound: ethyl 2-({2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino]acetyl}amino)benzoate

C998-0320 Screening compound: ethyl 2-({2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino]acetyl}amino)benzoate
C998-0320 Screening compound: ethyl 2-({2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C998-0320
ethyl 2-({2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino]acetyl}amino)benzoate

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

C998-0320

Molecular Formula

C23H25N3O5S2 (C23 H25 N3 O5 S2)

Compound Name

ethyl 2-({2-[(5,5-dioxo-4,5,6,6a-tetrahydro-3aH-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-yl)-3-methylanilino]acetyl}amino)benzoate

IUPAC name

ethyl 2-[2-({55-dioxo-3aH4H6H6aH-5lambda6-thieno[34-d][13]thiazol-2-yl}(3-methylphenyl)amino)acetamido]benzoate

SMILES

CCOC(c(cccc1)c1NC(CN(C1=NC(CS(C2)(=O)=O)C2S1)c1cc(C)ccc1)=O)=O

InChI

InChI=1S/C23H25N3O5S2/c1-3-31-22(28)17-9-4-5-10-18(17)24-21(27)12-26(16-8-6-7-15(2)11-16)23-25-19-13-33(29,30)14-20(19)32-23/h4-11,19-20H,3,12-14H2,1-2H3,(H,24,27)

InChI Key

QIKDRBUHXBXXKM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.6

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.609

Distribution Coefficient, logD

3.584

Water Solubility, LogSw

-3.77

Polar Surface Area

83.220

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

References: we are preparing a list of scientific research reports with C998-0320 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C998-0320?
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What is the minimum amount of C998-0320 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C998-0320
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C998-0320
  • 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 C998-0320 available by request