D336-6691 Screening compound: N-(4-acetyl-5-{3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

D336-6691 Screening compound: N-(4-acetyl-5-{3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
D336-6691 Screening compound: N-(4-acetyl-5-{3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6691
N-(4-acetyl-5-{3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-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

D336-6691

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

N-(4-acetyl-5-{3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

N-(4-acetyl-5-{3-chloro-5-methoxy-4-[(3-methylphenyl)methoxy]phenyl}-45-dihydro-134-thiadiazol-2-yl)acetamide

SMILES

CC(NC(SC1c(cc2OC)cc(Cl)c2OCc2cc(C)ccc2)=NN1C(C)=O)=O

InChI

InChI=1S/C21H22ClN3O4S/c1-12-6-5-7-15(8-12)11-29-19-17(22)9-16(10-18(19)28-4)20-25(14(3)27)24-21(30-20)23-13(2)26/h5-10,20H,11H2,1-4H3,(H,23,24,26)/t20-/m0/s1

InChI Key

QFZUZANXPULNCG-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14820253

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.606

Distribution Coefficient, logD

4.559

Water Solubility, LogSw

-4.75

Polar Surface Area

66.174

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D336-6691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6691?
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What is the minimum amount of D336-6691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6691
  • 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 D336-6691 available by request