C185-0082 Screening compound: N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

C185-0082 Screening compound: N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide
C185-0082 Screening compound: N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C185-0082
N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]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

C185-0082

Molecular Formula

C15H19N3O4S (C15 H19 N3 O4 S)

Compound Name

N-[4-acetyl-5-(3,4-dimethoxyphenyl)-5-methyl-4,5-dihydro-1,3,4-thiadiazol-2-yl]acetamide

IUPAC name

N-[4-acetyl-5-(34-dimethoxyphenyl)-5-methyl-45-dihydro-134-thiadiazol-2-yl]acetamide

SMILES

CC1(c(cc2)cc(OC)c2OC)SC(NC(C)=O)=NN1C(C)=O

InChI

InChI=1S/C15H19N3O4S/c1-9(19)16-14-17-18(10(2)20)15(3,23-14)11-6-7-12(21-4)13(8-11)22-5/h6-8H,1-5H3,(H,16,17,19)/t15-/m0/s1

InChI Key

FTIVBJDJHDHTCA-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03641434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.606

Distribution Coefficient, logD

1.590

Water Solubility, LogSw

-2.36

Polar Surface Area

66.237

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with C185-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C185-0082?
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What is the minimum amount of C185-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C185-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C185-0082
  • 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 C185-0082 available by request