Y600-2820 Screening compound: ethyl 1-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-3-piperidinecarboxylate

Y600-2820 Screening compound: ethyl 1-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-3-piperidinecarboxylate
Y600-2820 Screening compound: ethyl 1-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-3-piperidinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y600-2820
ethyl 1-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-3-piperidinecarboxylate

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

Y600-2820

Molecular Formula

C22H26ClN5O4 (C22 H26 ClN5 O4)

Compound Name

ethyl 1-[7-(4-chlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]-3-piperidinecarboxylate

IUPAC name

ethyl 1-{7-[(4-chlorophenyl)methyl]-13-dimethyl-26-dioxo-2367-tetrahydro-1H-purin-8-yl}piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1c1nc(N(C)C(N(C)C2=O)=O)c2n1Cc(cc1)ccc1Cl)=O

InChI

InChI=1S/C22H26ClN5O4/c1-4-32-20(30)15-6-5-11-27(13-15)21-24-18-17(19(29)26(3)22(31)25(18)2)28(21)12-14-7-9-16(23)10-8-14/h7-10,15H,4-6,11-13H2,1-3H3/t15-/m0/s1

InChI Key

VFNMMCDDQYFADF-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.93

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.946

Distribution Coefficient, logD

3.946

Water Solubility, LogSw

-4.22

Polar Surface Area

66.385

Acid Dissociation Constant (pKa)

21.68

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.46

References: we are preparing a list of scientific research reports with Y600-2820 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y600-2820?
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What is the minimum amount of Y600-2820 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y600-2820
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y600-2820
  • 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 Y600-2820 available by request