Y504-5448 Screening compound: 2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

Y504-5448 Screening compound: 2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide
Y504-5448 Screening compound: 2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y504-5448
2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

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

Y504-5448

Molecular Formula

C25H27N9O2S2 (C25 H27 N9 O2 S2)

Compound Name

2-{[5-(6-cyclopropyl-1,3-dimethyl-1H-pyrazolo[3,4-b]pyridin-4-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N~1~-[2,6-dimethyl-4-oxothieno[2,3-d]pyrimidin-3(4H)-yl]acetamide

IUPAC name

n/a

SMILES

CCn1c(SCC(NN(C(C)=Nc2c3cc(C)s2)C3=O)=O)nnc1-c1c(c(C)nn2C)c2nc(C2CC2)c1

InChI

InChI=1S/C25H27N9O2S2/c1-6-33-21(16-10-18(15-7-8-15)27-22-20(16)13(3)30-32(22)5)28-29-25(33)37-11-19(35)31-34-14(4)26-23-17(24(34)36)9-12(2)38-23/h9-10,15H,6-8,11H2,1-5H3,(H,31,35)

InChI Key

MXXYVFSGUUCWEJ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

549.68

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.735

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-3.23

Polar Surface Area

98.543

Acid Dissociation Constant (pKa)

11.90

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

References: we are preparing a list of scientific research reports with Y504-5448 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y504-5448?
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What is the minimum amount of Y504-5448 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y504-5448
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y504-5448
  • 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 Y504-5448 available by request