4789-4017 Screening compound: propan-2-yl 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate

4789-4017 Screening compound: propan-2-yl 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate
4789-4017 Screening compound: propan-2-yl 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-4017
propan-2-yl 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate

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

4789-4017

Molecular Formula

C13H16N2O2S2 (C13 H16 N2 O2 S2)

Compound Name

propan-2-yl 2-({5,6-dimethylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetate

IUPAC name

n/a

SMILES

CC(C)OC(CSc1c(c(C)c(C)s2)c2ncn1)=O

InChI

InChI=1S/C13H16N2O2S2/c1-7(2)17-10(16)5-18-12-11-8(3)9(4)19-13(11)15-6-14-12/h6-7H,5H2,1-4H3

InChI Key

DKEBREYIJFTMSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02968237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.459

Distribution Coefficient, logD

3.459

Water Solubility, LogSw

-3.84

Polar Surface Area

41.122

Acid Dissociation Constant (pKa)

19.50

Base Dissociation Constant (pKb)

3.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

4789-4017 in Drug Discovery

Included in Screening Libraries

Therapeutical Diversity Annotated Library (7563 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4789-4017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-4017?
Check Price and Availability of 4789-4017, 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 4789-4017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-4017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-4017
  • 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 4789-4017 available by request