Y502-8009 Screening compound: diethyl 5-[(2-{[4-(2-furyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate

Y502-8009 Screening compound: diethyl 5-[(2-{[4-(2-furyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate
Y502-8009 Screening compound: diethyl 5-[(2-{[4-(2-furyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y502-8009
diethyl 5-[(2-{[4-(2-furyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate

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

Y502-8009

Molecular Formula

C21H21N3O6S2 (C21 H21 N3 O6 S2)

Compound Name

diethyl 5-[(2-{[4-(2-furyl)-2-pyrimidinyl]sulfanyl}acetyl)amino]-3-methyl-2,4-thiophenedicarboxylate

IUPAC name

24-diethyl 5-(2-{[4-(furan-2-yl)pyrimidin-2-yl]sulfanyl}acetamido)-3-methylthiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(CSc2nc(-c3ccco3)ccn2)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C21H21N3O6S2/c1-4-28-19(26)16-12(3)17(20(27)29-5-2)32-18(16)24-15(25)11-31-21-22-9-8-13(23-21)14-7-6-10-30-14/h6-10H,4-5,11H2,1-3H3,(H,24,25)

InChI Key

BIJIBIWCKKZIMR-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.55

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.647

Distribution Coefficient, logD

1.799

Water Solubility, LogSw

-3.95

Polar Surface Area

90.450

Acid Dissociation Constant (pKa)

5.56

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

References: we are preparing a list of scientific research reports with Y502-8009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y502-8009?
Check Price and Availability of Y502-8009, 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 Y502-8009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y502-8009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y502-8009
  • 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 Y502-8009 available by request