Y600-1967 Screening compound: methyl 4,5-dimethoxy-2-({[(1-phenylethyl)amino]carbothioyl}amino)benzoate

Y600-1967 Screening compound: methyl 4,5-dimethoxy-2-({[(1-phenylethyl)amino]carbothioyl}amino)benzoate
Y600-1967 Screening compound: methyl 4,5-dimethoxy-2-({[(1-phenylethyl)amino]carbothioyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1967
methyl 4,5-dimethoxy-2-({[(1-phenylethyl)amino]carbothioyl}amino)benzoate

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

Y600-1967

Molecular Formula

C19H22N2O4S (C19 H22 N2 O4 S)

Compound Name

methyl 4,5-dimethoxy-2-({[(1-phenylethyl)amino]carbothioyl}amino)benzoate

IUPAC name

methyl 45-dimethoxy-2-{[(1-phenylethyl)carbamothioyl]amino}benzoate

SMILES

CC(c1ccccc1)NC(Nc(cc(c(OC)c1)OC)c1C(OC)=O)=S

InChI

InChI=1S/C19H22N2O4S/c1-12(13-8-6-5-7-9-13)20-19(26)21-15-11-17(24-3)16(23-2)10-14(15)18(22)25-4/h5-12H,1-4H3,(H2,20,21,26)/t12-/m0/s1

InChI Key

FZZATBLUNCZMOI-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.373

Distribution Coefficient, logD

3.373

Water Solubility, LogSw

-3.73

Polar Surface Area

55.283

Acid Dissociation Constant (pKa)

10.33

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

Y600-1967 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y600-1967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1967?
Check Price and Availability of Y600-1967, 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 Y600-1967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1967
  • 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 Y600-1967 available by request