Y032-4173 Screening compound: 4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

Y032-4173 Screening compound: 4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Y032-4173 Screening compound: 4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4173
4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

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

Y032-4173

Molecular Formula

C20H20N4O5S (C20 H20 N4 O5 S)

Compound Name

4,5-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

45-dimethoxy-2-nitro-N-[5-(3-phenylpropyl)-134-thiadiazol-2-yl]benzamide

SMILES

COc(c(OC)c1)cc(C(Nc2nnc(CCCc3ccccc3)s2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C20H20N4O5S/c1-28-16-11-14(15(24(26)27)12-17(16)29-2)19(25)21-20-23-22-18(30-20)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,21,23,25)

InChI Key

OIBXOGHXYYXFFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07151145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.368

Distribution Coefficient, logD

2.175

Water Solubility, LogSw

-4.44

Polar Surface Area

95.440

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-3.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y032-4173 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 Y032-4173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4173?
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What is the minimum amount of Y032-4173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4173
  • 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 Y032-4173 available by request