Y040-6002 Screening compound: 2-methoxyethyl 2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carboxylate

Y040-6002 Screening compound: 2-methoxyethyl 2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carboxylate
Y040-6002 Screening compound: 2-methoxyethyl 2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-6002
2-methoxyethyl 2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-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

Y040-6002

Molecular Formula

C20H18N2O7 (C20 H18 N2 O7)

Compound Name

2-methoxyethyl 2'-amino-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carboxylate

IUPAC name

2-methoxyethyl (3S)-2'-amino-7'-methyl-25'-dioxo-12-dihydro-5'H-spiro[indole-34'-pyrano[32-c]pyran]-3'-carboxylate

SMILES

CC(O1)=CC(OC(N)=C(C2(c(cccc3)c3N3)C3=O)C(OCCOC)=O)=C2C1=O

InChI

InChI=1S/C20H18N2O7/c1-10-9-13-14(18(24)28-10)20(11-5-3-4-6-12(11)22-19(20)25)15(16(21)29-13)17(23)27-8-7-26-2/h3-6,9H,7-8,21H2,1-2H3,(H,22,25)/t20-/m1/s1

InChI Key

GIAKDTWIFXVOJD-HXUWFJFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.37

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.816

Distribution Coefficient, logD

0.816

Water Solubility, LogSw

-2.27

Polar Surface Area

106.466

Acid Dissociation Constant (pKa)

12.03

Base Dissociation Constant (pKb)

-0.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with Y040-6002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-6002?
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What is the minimum amount of Y040-6002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-6002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-6002
  • 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 Y040-6002 available by request