D336-7422 Screening compound: N-(4-acetyl-5-{5-bromo-2-[(4-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

D336-7422 Screening compound: N-(4-acetyl-5-{5-bromo-2-[(4-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
D336-7422 Screening compound: N-(4-acetyl-5-{5-bromo-2-[(4-methylphenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7422
N-(4-acetyl-5-{5-bromo-2-[(4-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

D336-7422

Molecular Formula

C20H20BrN3O3S (C20 H20 BrN3 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(SC1c(cc(cc2)Br)c2OCc2ccc(C)cc2)=NN1C(C)=O)=O

InChI

InChI=1S/C20H20BrN3O3S/c1-12-4-6-15(7-5-12)11-27-18-9-8-16(21)10-17(18)19-24(14(3)26)23-20(28-19)22-13(2)25/h4-10,19H,11H2,1-3H3,(H,22,23,25)/t19-/m0/s1

InChI Key

VXWXXSLKFKLYHK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14820380

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.676

Distribution Coefficient, logD

4.630

Water Solubility, LogSw

-4.67

Polar Surface Area

58.457

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D336-7422 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7422?
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What is the minimum amount of D336-7422 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7422
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7422
  • 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 D336-7422 available by request