Y032-4163 Screening compound: 4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

Y032-4163 Screening compound: 4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
Y032-4163 Screening compound: 4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4163
4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-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

Y032-4163

Molecular Formula

C17H14N4O4S2 (C17 H14 N4 O4 S2)

Compound Name

4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

4-methoxy-3-nitro-N-{5-[(phenylsulfanyl)methyl]-134-thiadiazol-2-yl}benzamide

SMILES

COc(ccc(C(Nc1nnc(CSc2ccccc2)s1)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C17H14N4O4S2/c1-25-14-8-7-11(9-13(14)21(23)24)16(22)18-17-20-19-15(27-17)10-26-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,18,20,22)

InChI Key

LKSCKRBMLMPXHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07150855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.509

Distribution Coefficient, logD

1.729

Water Solubility, LogSw

-3.98

Polar Surface Area

87.809

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.76

References: we are preparing a list of scientific research reports with Y032-4163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4163?
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What is the minimum amount of Y032-4163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4163
  • 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 Y032-4163 available by request