D336-6470 Screening compound: N-(4-acetyl-5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide

D336-6470 Screening compound: N-(4-acetyl-5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide
D336-6470 Screening compound: N-(4-acetyl-5-{3-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl}-4,5-dihydro-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-6470
N-(4-acetyl-5-{3-ethoxy-4-[(2-fluorophenyl)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

D336-6470

Molecular Formula

C21H22FN3O4S (C21 H22 FN3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc(C1SC(NC(C)=O)=NN1C(C)=O)cc1)c1OCc(cccc1)c1F

InChI

InChI=1S/C21H22FN3O4S/c1-4-28-19-11-15(20-25(14(3)27)24-21(30-20)23-13(2)26)9-10-18(19)29-12-16-7-5-6-8-17(16)22/h5-11,20H,4,12H2,1-3H3,(H,23,24,26)/t20-/m0/s1

InChI Key

IYDRUAMPJXFSJD-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14820228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.49

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

3.156

Distribution Coefficient, logD

3.109

Water Solubility, LogSw

-3.25

Polar Surface Area

65.667

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

-1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D336-6470 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D336-6470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-6470?
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What is the minimum amount of D336-6470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-6470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-6470
  • 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 D336-6470 available by request