E130-0641 Screening compound: 1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]pyrrolidine

E130-0641 Screening compound: 1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]pyrrolidine
E130-0641 Screening compound: 1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound E130-0641
1-[4-(3-chlorophenyl)-5H-chromeno[4,3-d]pyrimidin-2-yl]pyrrolidine

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

E130-0641

Molecular Formula

C21H18ClN3O (C21 H18 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

Clc1cc(-c2nc(N3CCCC3)nc-3c2COc2c3cccc2)ccc1

InChI

InChI=1S/C21H18ClN3O/c22-15-7-5-6-14(12-15)19-17-13-26-18-9-2-1-8-16(18)20(17)24-21(23-19)25-10-3-4-11-25/h1-2,5-9,12H,3-4,10-11,13H2

InChI Key

MKPVQMKARZEIIP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14840792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.769

Distribution Coefficient, logD

5.769

Water Solubility, LogSw

-6.08

Polar Surface Area

31.013

Acid Dissociation Constant (pKa)

16.68

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

E130-0641 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E130-0641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E130-0641?
Check Price and Availability of E130-0641, 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 E130-0641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E130-0641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E130-0641
  • 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 E130-0641 available by request