Y502-6522 Screening compound: 2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoyl}-N~1~-(tetrahydro-2-furanylmethyl)-1-hydrazinecarbothioamide

Y502-6522 Screening compound: 2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoyl}-N~1~-(tetrahydro-2-furanylmethyl)-1-hydrazinecarbothioamide
Y502-6522 Screening compound: 2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoyl}-N~1~-(tetrahydro-2-furanylmethyl)-1-hydrazinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-6522
2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoyl}-N~1~-(tetrahydro-2-furanylmethyl)-1-hydrazinecarbothioamide

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

Y502-6522

Molecular Formula

C22H26ClN3O4S (C22 H26 ClN3 O4 S)

Compound Name

2-{3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxybenzoyl}-N~1~-(tetrahydro-2-furanylmethyl)-1-hydrazinecarbothioamide

IUPAC name

3-[(4-chloro-3-methylphenoxy)methyl]-4-methoxy-N-({[(oxolan-2-yl)methyl]carbamothioyl}amino)benzamide

SMILES

Cc(cc(cc1)OCc(cc(cc2)C(NNC(NCC3OCCC3)=S)=O)c2OC)c1Cl

InChI

InChI=1S/C22H26ClN3O4S/c1-14-10-17(6-7-19(14)23)30-13-16-11-15(5-8-20(16)28-2)21(27)25-26-22(31)24-12-18-4-3-9-29-18/h5-8,10-11,18H,3-4,9,12-13H2,1-2H3,(H,25,27)(H2,24,26,31)/t18-/m1/s1

InChI Key

HCXHMCZZVWVAEK-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.98

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

2.546

Water Solubility, LogSw

-4.35

Polar Surface Area

72.001

Acid Dissociation Constant (pKa)

6.13

Base Dissociation Constant (pKb)

0.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

References: we are preparing a list of scientific research reports with Y502-6522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-6522?
Check Price and Availability of Y502-6522, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y502-6522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-6522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-6522
  • 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 Y502-6522 available by request