Y032-4168 Screening compound: 4,5-dimethoxy-2-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide

Y032-4168 Screening compound: 4,5-dimethoxy-2-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide
Y032-4168 Screening compound: 4,5-dimethoxy-2-nitro-N-[5-(3-phenoxypropyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4168
4,5-dimethoxy-2-nitro-N-[5-(3-phenoxypropyl)-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

Y032-4168

Molecular Formula

C20H20N4O6S (C20 H20 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

COc(c(OC)c1)cc(C(Nc2nnc(CCCOc3ccccc3)s2)=O)c1[N+]([O-])=O

InChI

InChI=1S/C20H20N4O6S/c1-28-16-11-14(15(24(26)27)12-17(16)29-2)19(25)21-20-23-22-18(31-20)9-6-10-30-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3,(H,21,23,25)

InChI Key

BLKNVYYQFNIPSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07151129

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.766

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-4.03

Polar Surface Area

102.857

Acid Dissociation Constant (pKa)

5.21

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y032-4168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4168?
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What is the minimum amount of Y032-4168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4168
  • 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 Y032-4168 available by request