4236-0429 Screening compound: 4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N~1~-(2-hydroxyethyl)benzamide

4236-0429 Screening compound: 4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N~1~-(2-hydroxyethyl)benzamide
4236-0429 Screening compound: 4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N~1~-(2-hydroxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4236-0429
4-{[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]methyl}-N~1~-(2-hydroxyethyl)benzamide

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

4236-0429

Molecular Formula

C20H22N4O2S2 (C20 H22 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

Nc1c(c(CCCC2)c2s2)c2nc(SCc(cc2)ccc2C(NCCO)=O)n1

InChI

InChI=1S/C20H22N4O2S2/c21-17-16-14-3-1-2-4-15(14)28-19(16)24-20(23-17)27-11-12-5-7-13(8-6-12)18(26)22-9-10-25/h5-8,25H,1-4,9-11H2,(H,22,26)(H2,21,23,24)

InChI Key

ZCKVDBTVUTUHDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02333394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.849

Water Solubility, LogSw

-3.51

Polar Surface Area

80.164

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

4.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

4236-0429 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 4236-0429 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4236-0429?
Check Price and Availability of 4236-0429, 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 4236-0429 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4236-0429
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4236-0429
  • 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 4236-0429 available by request