3347-3506 Screening compound: 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2-hydroxyethyl)butanamide

3347-3506 Screening compound: 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2-hydroxyethyl)butanamide
3347-3506 Screening compound: 4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2-hydroxyethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3347-3506
4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2-hydroxyethyl)butanamide

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

3347-3506

Molecular Formula

C16H22N4O2S2 (C16 H22 N4 O2 S2)

Compound Name

4-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N~1~-(2-hydroxyethyl)butanamide

IUPAC name

4-({3-amino-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-5-yl}sulfanyl)-N-(2-hydroxyethyl)butanamide

SMILES

Nc1c(c(CCCC2)c2s2)c2nc(SCCCC(NCCO)=O)n1

InChI

InChI=1S/C16H22N4O2S2/c17-14-13-10-4-1-2-5-11(10)24-15(13)20-16(19-14)23-9-3-6-12(22)18-7-8-21/h21H,1-9H2,(H,18,22)(H2,17,19,20)

InChI Key

GSTUZNJULRHFBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.709

Distribution Coefficient, logD

1.708

Water Solubility, LogSw

-1.90

Polar Surface Area

80.222

Acid Dissociation Constant (pKa)

15.12

Base Dissociation Constant (pKb)

3.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.30

3347-3506 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3347-3506 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3347-3506?
Check Price and Availability of 3347-3506, 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 3347-3506 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3347-3506
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3347-3506
  • 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 3347-3506 available by request