8017-7901 Screening compound: methyl 2-amino-4-{4-[(1H-1,3-benzodiazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

8017-7901 Screening compound: methyl 2-amino-4-{4-[(1H-1,3-benzodiazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate
8017-7901 Screening compound: methyl 2-amino-4-{4-[(1H-1,3-benzodiazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7901
methyl 2-amino-4-{4-[(1H-1,3-benzodiazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-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

8017-7901

Molecular Formula

C24H23N3O4S (C24 H23 N3 O4 S)

Compound Name

methyl 2-amino-4-{4-[(1H-1,3-benzodiazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carboxylate

IUPAC name

methyl 2-amino-4-{4-[(1H-13-benzodiazol-1-yl)methyl]-5-methylthiophen-2-yl}-5-oxo-5678-tetrahydro-4H-chromene-3-carboxylate

SMILES

Cc1c(Cn2c(cccc3)c3nc2)cc(C2C(C(CCC3)=O)=C3OC(N)=C2C(OC)=O)s1

InChI

InChI=1S/C24H23N3O4S/c1-13-14(11-27-12-26-15-6-3-4-7-16(15)27)10-19(32-13)21-20-17(28)8-5-9-18(20)31-23(25)22(21)24(29)30-2/h3-4,6-7,10,12,21H,5,8-9,11,25H2,1-2H3/t21-/m1/s1

InChI Key

OEXVNXHQVIXVAH-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06618237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.040

Distribution Coefficient, logD

3.022

Water Solubility, LogSw

-3.44

Polar Surface Area

74.923

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

6.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

8017-7901 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8017-7901 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7901?
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What is the minimum amount of 8017-7901 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7901
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7901
  • 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 8017-7901 available by request