Y032-2472 Screening compound: methyl 3-({[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate

Y032-2472 Screening compound: methyl 3-({[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate
Y032-2472 Screening compound: methyl 3-({[5-(4-methoxybenzyl)-1,3,4-thiadiazol-2-yl]amino}carbonyl)-5-nitrobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-2472
methyl 3-({[5-(4-methoxybenzyl)-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

Y032-2472

Molecular Formula

C19H16N4O6S (C19 H16 N4 O6 S)

Compound Name

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

IUPAC name

methyl 3-({5-[(4-methoxyphenyl)methyl]-134-thiadiazol-2-yl}carbamoyl)-5-nitrobenzoate

SMILES

COC(c1cc(C(Nc2nnc(Cc(cc3)ccc3OC)s2)=O)cc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C19H16N4O6S/c1-28-15-5-3-11(4-6-15)7-16-21-22-19(30-16)20-17(24)12-8-13(18(25)29-2)10-14(9-12)23(26)27/h3-6,8-10H,7H2,1-2H3,(H,20,22,24)

InChI Key

TYMGTBXKPBVSHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03351867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.43

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-4.20

Polar Surface Area

109.197

Acid Dissociation Constant (pKa)

5.84

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

References: we are preparing a list of scientific research reports with Y032-2472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-2472?
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What is the minimum amount of Y032-2472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-2472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-2472
  • 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 Y032-2472 available by request