3909-8509 Screening compound: ethyl 4-[(2,2-diethoxyethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxylate

3909-8509 Screening compound: ethyl 4-[(2,2-diethoxyethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxylate
3909-8509 Screening compound: ethyl 4-[(2,2-diethoxyethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3909-8509
ethyl 4-[(2,2-diethoxyethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-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

3909-8509

Molecular Formula

C19H27N3O4S (C19 H27 N3 O4 S)

Compound Name

ethyl 4-[(2,2-diethoxyethyl)amino]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine-2-carboxylate

IUPAC name

ethyl 3-[(22-diethoxyethyl)amino]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraene-5-carboxylate

SMILES

CCOC(CNc1c(c(CCCC2)c2s2)c2nc(C(OCC)=O)n1)OCC

InChI

InChI=1S/C19H27N3O4S/c1-4-24-14(25-5-2)11-20-16-15-12-9-7-8-10-13(12)27-18(15)22-17(21-16)19(23)26-6-3/h14H,4-11H2,1-3H3,(H,20,21,22)

InChI Key

UVAMYYYKIKOTBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14708985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.019

Water Solubility, LogSw

-4.11

Polar Surface Area

66.388

Acid Dissociation Constant (pKa)

15.46

Base Dissociation Constant (pKb)

1.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

3909-8509 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 3909-8509 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3909-8509?
Check Price and Availability of 3909-8509, 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 3909-8509 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3909-8509
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3909-8509
  • 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 3909-8509 available by request