8018-2165 Screening compound: methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate

8018-2165 Screening compound: methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate
8018-2165 Screening compound: methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2165
methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]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

8018-2165

Molecular Formula

C26H20N4O5S (C26 H20 N4 O5 S)

Compound Name

methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-[(phenylcarbamoyl)methyl]-1,2-dihydrospiro[indole-3,7'-thieno[3,2-b]pyran]-3'-carboxylate

IUPAC name

methyl 5'-amino-6'-cyano-2'-methyl-2-oxo-1-[(phenylcarbamoyl)methyl]-12-dihydrospiro[indole-37'-thieno[32-b]pyran]-3'-carboxylate

SMILES

Cc1c(C(OC)=O)c(OC(N)=C(C2(c(cccc3)c3N3CC(Nc4ccccc4)=O)C3=O)C#N)c2s1

InChI

InChI=1S/C26H20N4O5S/c1-14-20(24(32)34-2)21-22(36-14)26(17(12-27)23(28)35-21)16-10-6-7-11-18(16)30(25(26)33)13-19(31)29-15-8-4-3-5-9-15/h3-11H,13,28H2,1-2H3,(H,29,31)/t26-/m0/s1

InChI Key

WBKPRPIVTDYQNJ-SANMLTNESA-N

MDL Number (MFCD)

MFCD07657366

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.296

Distribution Coefficient, logD

3.296

Water Solubility, LogSw

-3.95

Polar Surface Area

106.788

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

0.70

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8018-2165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2165?
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What is the minimum amount of 8018-2165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2165
  • 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 8018-2165 available by request