Y600-1044 Screening compound: methyl 2-(4-{[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)carbothioyl]amino}phenyl)acetate

Y600-1044 Screening compound: methyl 2-(4-{[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)carbothioyl]amino}phenyl)acetate
Y600-1044 Screening compound: methyl 2-(4-{[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)carbothioyl]amino}phenyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-1044
methyl 2-(4-{[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)carbothioyl]amino}phenyl)acetate

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

Y600-1044

Molecular Formula

C18H19ClN2O2S2 (C18 H19 ClN2 O2 S2)

Compound Name

methyl 2-(4-{[({2-[(4-chlorophenyl)sulfanyl]ethyl}amino)carbothioyl]amino}phenyl)acetate

IUPAC name

methyl 2-{4-[({2-[(4-chlorophenyl)sulfanyl]ethyl}carbamothioyl)amino]phenyl}acetate

SMILES

COC(Cc(cc1)ccc1NC(NCCSc(cc1)ccc1Cl)=S)=O

InChI

InChI=1S/C18H19ClN2O2S2/c1-23-17(22)12-13-2-6-15(7-3-13)21-18(24)20-10-11-25-16-8-4-14(19)5-9-16/h2-9H,10-12H2,1H3,(H2,20,21,24)

InChI Key

ODBBRHZJOQHNCX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.95

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.39

Polar Surface Area

40.803

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with Y600-1044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-1044?
Check Price and Availability of Y600-1044, 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 Y600-1044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-1044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-1044
  • 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 Y600-1044 available by request