5066-0083 Screening compound: 3',5'-dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

5066-0083 Screening compound: 3',5'-dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate
5066-0083 Screening compound: 3',5'-dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5066-0083
3',5'-dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

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

5066-0083

Molecular Formula

C19H18N2O8 (C19 H18 N2 O8)

Compound Name

3',5'-dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-1,2-dihydrospiro[indole-3,4'-pyran]-3',5'-dicarboxylate

IUPAC name

3'5'-dimethyl 2'-amino-6'-(2-methoxy-2-oxoethyl)-2-oxo-12-dihydrospiro[indole-34'-pyran]-3'5'-dicarboxylate

SMILES

COC(CC(OC(N)=C(C1(c(cccc2)c2N2)C2=O)C(OC)=O)=C1C(OC)=O)=O

InChI

InChI=1S/C19H18N2O8/c1-26-12(22)8-11-13(16(23)27-2)19(14(15(20)29-11)17(24)28-3)9-6-4-5-7-10(9)21-18(19)25/h4-7H,8,20H2,1-3H3,(H,21,25)/t19-/m0/s1

InChI Key

XESSCYYEYBSBQG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01928667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.36

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.711

Distribution Coefficient, logD

0.711

Water Solubility, LogSw

-2.19

Polar Surface Area

118.001

Acid Dissociation Constant (pKa)

11.76

Base Dissociation Constant (pKb)

1.23

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

5066-0083 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 5066-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5066-0083?
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What is the minimum amount of 5066-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5066-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5066-0083
  • 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 5066-0083 available by request