Y600-2512 Screening compound: dimethyl 5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbothioyl}amino)isophthalate

Y600-2512 Screening compound: dimethyl 5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbothioyl}amino)isophthalate
Y600-2512 Screening compound: dimethyl 5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbothioyl}amino)isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2512
dimethyl 5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbothioyl}amino)isophthalate

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

Y600-2512

Molecular Formula

C23H25N3O6S (C23 H25 N3 O6 S)

Compound Name

dimethyl 5-({[4-(1,3-benzodioxol-5-ylmethyl)piperazino]carbothioyl}amino)isophthalate

IUPAC name

13-dimethyl 5-({4-[(2H-13-benzodioxol-5-yl)methyl]piperazine-1-carbothioyl}amino)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(N2CCN(Cc(cc3)cc4c3OCO4)CC2)=S)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C23H25N3O6S/c1-29-21(27)16-10-17(22(28)30-2)12-18(11-16)24-23(33)26-7-5-25(6-8-26)13-15-3-4-19-20(9-15)32-14-31-19/h3-4,9-12H,5-8,13-14H2,1-2H3,(H,24,33)

InChI Key

GOLAHSHLQRASSN-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.902

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-4.10

Polar Surface Area

74.140

Acid Dissociation Constant (pKa)

13.92

Base Dissociation Constant (pKb)

8.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with Y600-2512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2512?
Check Price and Availability of Y600-2512, 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 Y600-2512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2512
  • 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 Y600-2512 available by request