6231-0125 Screening compound: 2-(3-acetyl-5-acetamido-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl acetate

6231-0125 Screening compound: 2-(3-acetyl-5-acetamido-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl acetate
6231-0125 Screening compound: 2-(3-acetyl-5-acetamido-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6231-0125
2-(3-acetyl-5-acetamido-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl acetate

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

6231-0125

Molecular Formula

C15H16ClN3O4S (C15 H16 ClN3 O4 S)

Compound Name

2-(3-acetyl-5-acetamido-2-methyl-2,3-dihydro-1,3,4-thiadiazol-2-yl)-4-chlorophenyl acetate

IUPAC name

2-(3-acetyl-5-acetamido-2-methyl-23-dihydro-134-thiadiazol-2-yl)-4-chlorophenyl acetate

SMILES

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

InChI

InChI=1S/C15H16ClN3O4S/c1-8(20)17-14-18-19(9(2)21)15(4,24-14)12-7-11(16)5-6-13(12)23-10(3)22/h5-7H,1-4H3,(H,17,18,20)/t15-/m0/s1

InChI Key

DDCYZXPYHCKQBK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD06197405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.83

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.159

Distribution Coefficient, logD

2.143

Water Solubility, LogSw

-3.37

Polar Surface Area

71.814

Acid Dissociation Constant (pKa)

8.82

Base Dissociation Constant (pKb)

-1.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 6231-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6231-0125?
Check Price and Availability of 6231-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6231-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6231-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6231-0125
  • 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 6231-0125 available by request