E130-0681 Screening compound: ethyl 1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]piperidine-3-carboxylate

E130-0681 Screening compound: ethyl 1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]piperidine-3-carboxylate
E130-0681 Screening compound: ethyl 1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E130-0681
ethyl 1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]piperidine-3-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

E130-0681

Molecular Formula

C25H24ClN3O3 (C25 H24 ClN3 O3)

Compound Name

ethyl 1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]piperidine-3-carboxylate

IUPAC name

ethyl 1-[4-(3-chlorophenyl)-5H-chromeno[43-d]pyrimidin-2-yl]piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1c1nc(-c(cccc2)c2OC2)c2c(-c2cccc(Cl)c2)n1)=O

InChI

InChI=1S/C25H24ClN3O3/c1-2-31-24(30)17-8-6-12-29(14-17)25-27-22(16-7-5-9-18(26)13-16)20-15-32-21-11-4-3-10-19(21)23(20)28-25/h3-5,7,9-11,13,17H,2,6,8,12,14-15H2,1H3/t17-/m0/s1

InChI Key

ZCJHFQPVRGVOIM-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14840808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.94

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.914

Distribution Coefficient, logD

5.914

Water Solubility, LogSw

-5.91

Polar Surface Area

51.335

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

3.37

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

References: we are preparing a list of scientific research reports with E130-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E130-0681?
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What is the minimum amount of E130-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E130-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E130-0681
  • 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 E130-0681 available by request