D336-7091 Screening compound: N-(4-acetyl-5-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

D336-7091 Screening compound: N-(4-acetyl-5-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
D336-7091 Screening compound: N-(4-acetyl-5-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7091
N-(4-acetyl-5-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]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

D336-7091

Molecular Formula

C21H22BrN3O4S (C21 H22 BrN3 O4 S)

Compound Name

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

IUPAC name

N-(4-acetyl-5-{3-bromo-4-[2-(3-methylphenoxy)ethoxy]phenyl}-45-dihydro-134-thiadiazol-2-yl)acetamide

SMILES

CC(NC(SC1c(cc2)cc(Br)c2OCCOc2cc(C)ccc2)=NN1C(C)=O)=O

InChI

InChI=1S/C21H22BrN3O4S/c1-13-5-4-6-17(11-13)28-9-10-29-19-8-7-16(12-18(19)22)20-25(15(3)27)24-21(30-20)23-14(2)26/h4-8,11-12,20H,9-10H2,1-3H3,(H,23,24,26)/t20-/m0/s1

InChI Key

HGJOPHLUWDBOGW-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14820310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.190

Distribution Coefficient, logD

4.144

Water Solubility, LogSw

-4.31

Polar Surface Area

65.793

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D336-7091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7091?
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What is the minimum amount of D336-7091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7091
  • 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 D336-7091 available by request