Y600-4495 Screening compound: methyl 3-({4-[1-(4-methylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]piperazino}sulfonyl)-2-thiophenecarboxylate

Y600-4495 Screening compound: methyl 3-({4-[1-(4-methylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]piperazino}sulfonyl)-2-thiophenecarboxylate
Y600-4495 Screening compound: methyl 3-({4-[1-(4-methylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]piperazino}sulfonyl)-2-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-4495
methyl 3-({4-[1-(4-methylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]piperazino}sulfonyl)-2-thiophenecarboxylate

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

Y600-4495

Molecular Formula

C21H23N3O6S2 (C21 H23 N3 O6 S2)

Compound Name

methyl 3-({4-[1-(4-methylphenyl)-2,5-dioxotetrahydro-1H-pyrrol-3-yl]piperazino}sulfonyl)-2-thiophenecarboxylate

IUPAC name

methyl 3-({4-[1-(4-methylphenyl)-25-dioxopyrrolidin-3-yl]piperazin-1-yl}sulfonyl)thiophene-2-carboxylate

SMILES

Cc(cc1)ccc1N(C(CC1N(CC2)CCN2S(c2c(C(OC)=O)scc2)(=O)=O)=O)C1=O

InChI

InChI=1S/C21H23N3O6S2/c1-14-3-5-15(6-4-14)24-18(25)13-16(20(24)26)22-8-10-23(11-9-22)32(28,29)17-7-12-31-19(17)21(27)30-2/h3-7,12,16H,8-11,13H2,1-2H3/t16-/m0/s1

InChI Key

VYZVGUAAJWUMPB-INIZCTEOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.294

Distribution Coefficient, logD

1.294

Water Solubility, LogSw

-2.28

Polar Surface Area

85.699

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.10

Y600-4495 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 Y600-4495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-4495?
Check Price and Availability of Y600-4495, 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 Y600-4495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-4495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-4495
  • 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 Y600-4495 available by request