Y021-2534 Screening compound: N-(3,4-dichlorophenyl)-2-(2-methoxy-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)acetamide

Y021-2534 Screening compound: N-(3,4-dichlorophenyl)-2-(2-methoxy-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)acetamide
Y021-2534 Screening compound: N-(3,4-dichlorophenyl)-2-(2-methoxy-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y021-2534
N-(3,4-dichlorophenyl)-2-(2-methoxy-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-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

Y021-2534

Molecular Formula

C16H14Cl2N4O4 (C16 H14 Cl2 N4 O4)

Compound Name

N-(3,4-dichlorophenyl)-2-(2-methoxy-4,7-dioxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl)acetamide

IUPAC name

N-(34-dichlorophenyl)-2-{2-methoxy-47-dioxo-3H4H5H6H7H8H-pyrido[23-d]pyrimidin-6-yl}acetamide

SMILES

COC(N1)=NC(NC(C(CC(Nc(cc2)cc(Cl)c2Cl)=O)C2)=O)=C2C1=O

InChI

InChI=1S/C16H14Cl2N4O4/c1-26-16-21-13-9(15(25)22-16)4-7(14(24)20-13)5-12(23)19-8-2-3-10(17)11(18)6-8/h2-3,6-7H,4-5H2,1H3,(H,19,23)(H2,20,21,22,24,25)/t7-/m1/s1

InChI Key

KXJJQPUNWCMMTG-SSDOTTSWSA-N

MDL Number (MFCD)

MFCD31711590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.22

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-2.62

Polar Surface Area

90.348

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y021-2534 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 Y021-2534 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y021-2534 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y021-2534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y021-2534
  • 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 Y021-2534 available by request