8640-0345 Screening compound: 4-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoic acid

8640-0345 Screening compound: 4-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoic acid
8640-0345 Screening compound: 4-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8640-0345
4-[(4-amino-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]butanoic acid

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

8640-0345

Molecular Formula

C16H21N3O3S2 (C16 H21 N3 O3 S2)

Compound Name

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

IUPAC name

4-({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)butanoic acid

SMILES

CCC(C)(C1)OCc(sc2n3)c1c2c(N)nc3SCCCC(O)=O

InChI

InChI=1S/C16H21N3O3S2/c1-3-16(2)7-9-10(8-22-16)24-14-12(9)13(17)18-15(19-14)23-6-4-5-11(20)21/h3-8H2,1-2H3,(H,20,21)(H2,17,18,19)/t16-/m0/s1

InChI Key

ZRBBWPOOQVIBOT-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05687262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.085

Distribution Coefficient, logD

0.264

Water Solubility, LogSw

-3.15

Polar Surface Area

75.529

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

8640-0345 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 8640-0345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8640-0345?
Check Price and Availability of 8640-0345, 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 8640-0345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8640-0345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8640-0345
  • 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 8640-0345 available by request