ZC02-0048 Screening compound: 2-butyl-9-ethoxy-3-{4-[(3R)tetrahydro-1H-pyrrol-3-ylamino]phenyl}-4H-pyrido[1,2-a]pyrimidin-4-one

ZC02-0048 Screening compound: 2-butyl-9-ethoxy-3-{4-[(3R)tetrahydro-1H-pyrrol-3-ylamino]phenyl}-4H-pyrido[1,2-a]pyrimidin-4-one
ZC02-0048 Screening compound: 2-butyl-9-ethoxy-3-{4-[(3R)tetrahydro-1H-pyrrol-3-ylamino]phenyl}-4H-pyrido[1,2-a]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound ZC02-0048
2-butyl-9-ethoxy-3-{4-[(3R)tetrahydro-1H-pyrrol-3-ylamino]phenyl}-4H-pyrido[1,2-a]pyrimidin-4-one

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

ZC02-0048

Molecular Formula

C24H30N4O2 (C24 H30 N4 O2)

Compound Name

2-butyl-9-ethoxy-3-{4-[(3R)tetrahydro-1H-pyrrol-3-ylamino]phenyl}-4H-pyrido[1,2-a]pyrimidin-4-one

IUPAC name

2-butyl-9-ethoxy-3-(4-{[(3R)-pyrrolidin-3-yl]amino}phenyl)-4H-pyrido[12-a]pyrimidin-4-one

SMILES

CCCCC(N=C1N2C=CC=C1OCC)=C(c(cc1)ccc1N[C@H]1CNCC1)C2=O

InChI

InChI=1S/C24H30N4O2/c1-3-5-7-20-22(17-9-11-18(12-10-17)26-19-13-14-25-16-19)24(29)28-15-6-8-21(30-4-2)23(28)27-20/h6,8-12,15,19,25-26H,3-5,7,13-14,16H2,1-2H3/t19-/m1/s1

InChI Key

JMFCIAWWSAKZOV-LJQANCHMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.419

Distribution Coefficient, logD

1.041

Water Solubility, LogSw

-3.43

Polar Surface Area

53.524

Acid Dissociation Constant (pKa)

21.73

Base Dissociation Constant (pKb)

9.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.67

ZC02-0048 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with ZC02-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound ZC02-0048?
Check Price and Availability of ZC02-0048, 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 ZC02-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for ZC02-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for ZC02-0048
  • 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 ZC02-0048 available by request