8017-7923 Screening compound: methyl 2'-amino-1-(carbamoylmethyl)-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carboxylate

8017-7923 Screening compound: methyl 2'-amino-1-(carbamoylmethyl)-7'-methyl-2,5'-dioxo-1,2-dihydro-5'H-spiro[indole-3,4'-pyrano[3,2-c]pyran]-3'-carboxylate
8017-7923 Screening compound: methyl 2'-amino-1-(carbamoylmethyl)-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 8017-7923
methyl 2'-amino-1-(carbamoylmethyl)-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

8017-7923

Molecular Formula

C20H17N3O7 (C20 H17 N3 O7)

Compound Name

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

IUPAC name

methyl 2'-amino-1-(carbamoylmethyl)-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)c3N3CC(N)=O)C3=O)C(OC)=O)=C2C1=O

InChI

InChI=1S/C20H17N3O7/c1-9-7-12-14(18(26)29-9)20(15(16(22)30-12)17(25)28-2)10-5-3-4-6-11(10)23(19(20)27)8-13(21)24/h3-7H,8,22H2,1-2H3,(H2,21,24)/t20-/m1/s1

InChI Key

UJKTWJXFYSDWHL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06618258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.37

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.025

Distribution Coefficient, logD

-0.025

Water Solubility, LogSw

-2.23

Polar Surface Area

122.134

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8017-7923 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 8017-7923 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7923?
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What is the minimum amount of 8017-7923 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7923
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7923
  • 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 8017-7923 available by request