7656-0882 Screening compound: methyl 4,5-dimethyl-2-(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)thiophene-3-carboxylate

7656-0882 Screening compound: methyl 4,5-dimethyl-2-(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)thiophene-3-carboxylate
7656-0882 Screening compound: methyl 4,5-dimethyl-2-(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7656-0882
methyl 4,5-dimethyl-2-(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)thiophene-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

7656-0882

Molecular Formula

C19H19NO5S (C19 H19 NO5 S)

Compound Name

methyl 4,5-dimethyl-2-(7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-amido)thiophene-3-carboxylate

IUPAC name

methyl 45-dimethyl-2-(7-methyl-1-oxo-34-dihydro-1H-2-benzopyran-3-amido)thiophene-3-carboxylate

SMILES

Cc1c(C)sc(NC(C(Cc2c3cc(C)cc2)OC3=O)=O)c1C(OC)=O

InChI

InChI=1S/C19H19NO5S/c1-9-5-6-12-8-14(25-18(22)13(12)7-9)16(21)20-17-15(19(23)24-4)10(2)11(3)26-17/h5-7,14H,8H2,1-4H3,(H,20,21)/t14-/m0/s1

InChI Key

SAJGUCWRNSTRAR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06438606

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.650

Distribution Coefficient, logD

0.886

Water Solubility, LogSw

-3.99

Polar Surface Area

65.122

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

7656-0882 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 7656-0882 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7656-0882?
Check Price and Availability of 7656-0882, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7656-0882 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7656-0882
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7656-0882
  • 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 7656-0882 available by request