Y020-5785 Screening compound: ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate

Y020-5785 Screening compound: ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate
Y020-5785 Screening compound: ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-5785
ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate

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

Y020-5785

Molecular Formula

C17H15N5O6S (C17 H15 N5 O6 S)

Compound Name

ethyl 4-amino-2-{[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate

IUPAC name

ethyl 4-amino-2-{[1-(4-nitrophenyl)-25-dioxopyrrolidin-3-yl]sulfanyl}pyrimidine-5-carboxylate

SMILES

CCOC(c(cn1)c(N)nc1SC(CC(N1c(cc2)ccc2[N+]([O-])=O)=O)C1=O)=O

InChI

InChI=1S/C17H15N5O6S/c1-2-28-16(25)11-8-19-17(20-14(11)18)29-12-7-13(23)21(15(12)24)9-3-5-10(6-4-9)22(26)27/h3-6,8,12H,2,7H2,1H3,(H2,18,19,20)/t12-/m0/s1

InChI Key

UQVOHZOBTQFHCK-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03490299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.4

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.379

Distribution Coefficient, logD

1.378

Water Solubility, LogSw

-2.46

Polar Surface Area

121.804

Acid Dissociation Constant (pKa)

10.07

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with Y020-5785 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-5785?
Check Price and Availability of Y020-5785, 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 Y020-5785 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-5785
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-5785
  • 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 Y020-5785 available by request