Y030-9003 Screening compound: 2-(4-chlorophenoxy)-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methylpropanamide

Y030-9003 Screening compound: 2-(4-chlorophenoxy)-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methylpropanamide
Y030-9003 Screening compound: 2-(4-chlorophenoxy)-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9003
2-(4-chlorophenoxy)-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methylpropanamide

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

Y030-9003

Molecular Formula

C21H22ClN3O4S (C21 H22 ClN3 O4 S)

Compound Name

2-(4-chlorophenoxy)-N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methylpropanamide

IUPAC name

2-(4-chlorophenoxy)-N-{5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}-2-methylpropanamide

SMILES

CC(C)(C(Nc1nnc(Cc(cc2)cc(OC)c2OC)s1)=O)Oc(cc1)ccc1Cl

InChI

InChI=1S/C21H22ClN3O4S/c1-21(2,29-15-8-6-14(22)7-9-15)19(26)23-20-25-24-18(30-20)12-13-5-10-16(27-3)17(11-13)28-4/h5-11H,12H2,1-4H3,(H,23,25,26)

InChI Key

FSXOSRAWCKFORN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930365

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.642

Distribution Coefficient, logD

4.595

Water Solubility, LogSw

-4.93

Polar Surface Area

68.579

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-4.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y030-9003 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y030-9003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9003?
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What is the minimum amount of Y030-9003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9003
  • 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 Y030-9003 available by request