4386-0097 Screening compound: 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenyl-1-ethanone

4386-0097 Screening compound: 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenyl-1-ethanone
4386-0097 Screening compound: 2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenyl-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 4386-0097
2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenyl-1-ethanone

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

4386-0097

Molecular Formula

C20H21N3O2S2 (C20 H21 N3 O2 S2)

Compound Name

2-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-1-phenyl-1-ethanone

IUPAC name

2-({3-amino-12-ethyl-12-methyl-11-oxa-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-5-yl}sulfanyl)-1-phenylethan-1-one

SMILES

CCC(C)(C1)OCc(sc2n3)c1c2c(N)nc3SCC(c1ccccc1)=O

InChI

InChI=1S/C20H21N3O2S2/c1-3-20(2)9-13-15(10-25-20)27-18-16(13)17(21)22-19(23-18)26-11-14(24)12-7-5-4-6-8-12/h4-8H,3,9-11H2,1-2H3,(H2,21,22,23)/t20-/m0/s1

InChI Key

AXPPSOSKBSIIGJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01897821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.554

Water Solubility, LogSw

-4.85

Polar Surface Area

60.120

Acid Dissociation Constant (pKa)

14.90

Base Dissociation Constant (pKb)

2.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

4386-0097 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4386-0097 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4386-0097?
Check Price and Availability of 4386-0097, 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 4386-0097 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4386-0097
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4386-0097
  • 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 4386-0097 available by request