D336-7657 Screening compound: N-(4-acetyl-5-{3-[2-(4-methoxyphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

D336-7657 Screening compound: N-(4-acetyl-5-{3-[2-(4-methoxyphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
D336-7657 Screening compound: N-(4-acetyl-5-{3-[2-(4-methoxyphenoxy)ethoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-7657
N-(4-acetyl-5-{3-[2-(4-methoxyphenoxy)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

D336-7657

Molecular Formula

C21H23N3O5S (C21 H23 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CC(NC(SC1c2cc(OCCOc(cc3)ccc3OC)ccc2)=NN1C(C)=O)=O

InChI

InChI=1S/C21H23N3O5S/c1-14(25)22-21-23-24(15(2)26)20(30-21)16-5-4-6-19(13-16)29-12-11-28-18-9-7-17(27-3)8-10-18/h4-10,13,20H,11-12H2,1-3H3,(H,22,23,25)/t20-/m0/s1

InChI Key

MYXMJYISQCKOTD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14820451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.217

Distribution Coefficient, logD

3.171

Water Solubility, LogSw

-3.49

Polar Surface Area

73.250

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D336-7657 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D336-7657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-7657?
Check Price and Availability of D336-7657, 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 D336-7657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-7657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-7657
  • 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 D336-7657 available by request