Y070-3644 Screening compound: methyl 4-{7-methyl-3,9-dioxo-2-[3-(propan-2-yloxy)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

Y070-3644 Screening compound: methyl 4-{7-methyl-3,9-dioxo-2-[3-(propan-2-yloxy)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate
Y070-3644 Screening compound: methyl 4-{7-methyl-3,9-dioxo-2-[3-(propan-2-yloxy)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y070-3644
methyl 4-{7-methyl-3,9-dioxo-2-[3-(propan-2-yloxy)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

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

Y070-3644

Molecular Formula

C26H27NO6 (C26 H27 NO6)

Compound Name

methyl 4-{7-methyl-3,9-dioxo-2-[3-(propan-2-yloxy)propyl]-1H,2H,3H,9H-chromeno[2,3-c]pyrrol-1-yl}benzoate

IUPAC name

methyl 4-{7-methyl-39-dioxo-2-[3-(propan-2-yloxy)propyl]-1H2H3H9H-chromeno[23-c]pyrrol-1-yl}benzoate

SMILES

CC(C)OCCCN(C(C1=C2Oc(ccc(C)c3)c3C1=O)c(cc1)ccc1C(OC)=O)C2=O

InChI

InChI=1S/C26H27NO6/c1-15(2)32-13-5-12-27-22(17-7-9-18(10-8-17)26(30)31-4)21-23(28)19-14-16(3)6-11-20(19)33-24(21)25(27)29/h6-11,14-15,22H,5,12-13H2,1-4H3/t22-/m1/s1

InChI Key

KJUYYLXQYBTGDG-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD04188662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.18

Polar Surface Area

65.358

Acid Dissociation Constant (pKa)

18.11

Base Dissociation Constant (pKb)

-6.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

Y070-3644 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y070-3644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y070-3644?
Check Price and Availability of Y070-3644, 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 Y070-3644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y070-3644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y070-3644
  • 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 Y070-3644 available by request