Y032-3702 Screening compound: methyl 3-[({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)carbonyl]-5-nitrobenzoate

Y032-3702 Screening compound: methyl 3-[({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)carbonyl]-5-nitrobenzoate
Y032-3702 Screening compound: methyl 3-[({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)carbonyl]-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-3702
methyl 3-[({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)carbonyl]-5-nitrobenzoate

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

Y032-3702

Molecular Formula

C14H14N4O6S2 (C14 H14 N4 O6 S2)

Compound Name

methyl 3-[({5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}amino)carbonyl]-5-nitrobenzoate

IUPAC name

methyl 3-({5-[(2-methoxyethyl)sulfanyl]-134-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate

SMILES

COCCSc1nnc(NC(c2cc([N+]([O-])=O)cc(C(OC)=O)c2)=O)s1

InChI

InChI=1S/C14H14N4O6S2/c1-23-3-4-25-14-17-16-13(26-14)15-11(19)8-5-9(12(20)24-2)7-10(6-8)18(21)22/h5-7H,3-4H2,1-2H3,(H,15,16,19)

InChI Key

PFRSRDCTNMCPJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06152261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.42

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.765

Distribution Coefficient, logD

1.856

Water Solubility, LogSw

-3.31

Polar Surface Area

109.133

Acid Dissociation Constant (pKa)

6.55

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y032-3702 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y032-3702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-3702?
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What is the minimum amount of Y032-3702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-3702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-3702
  • 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 Y032-3702 available by request