D336-6959 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl furan-2-carboxylate

D336-6959 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl furan-2-carboxylate
D336-6959 Screening compound: 4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl furan-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6959
4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl furan-2-carboxylate

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

D336-6959

Molecular Formula

C19H19N3O6S (C19 H19 N3 O6 S)

Compound Name

4-(3-acetyl-5-acetamido-2,3-dihydro-1,3,4-thiadiazol-2-yl)-2-ethoxyphenyl furan-2-carboxylate

IUPAC name

4-(3-acetyl-5-acetamido-23-dihydro-134-thiadiazol-2-yl)-2-ethoxyphenyl furan-2-carboxylate

SMILES

CCOc(cc(C1SC(NC(C)=O)=NN1C(C)=O)cc1)c1OC(c1ccco1)=O

InChI

InChI=1S/C19H19N3O6S/c1-4-26-16-10-13(7-8-14(16)28-18(25)15-6-5-9-27-15)17-22(12(3)24)21-19(29-17)20-11(2)23/h5-10,17H,4H2,1-3H3,(H,20,21,23)/t17-/m0/s1

InChI Key

IMQPUDZXXCMYNE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14820293

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.125

Distribution Coefficient, logD

2.079

Water Solubility, LogSw

-2.94

Polar Surface Area

87.396

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

References: we are preparing a list of scientific research reports with D336-6959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6959?
Check Price and Availability of D336-6959, 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 D336-6959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6959
  • 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 D336-6959 available by request