5353-1017 Screening compound: 2-(1,2-dimethyl-1H-indol-3-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

5353-1017 Screening compound: 2-(1,2-dimethyl-1H-indol-3-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
5353-1017 Screening compound: 2-(1,2-dimethyl-1H-indol-3-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5353-1017
2-(1,2-dimethyl-1H-indol-3-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

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

5353-1017

Molecular Formula

C20H21N3OS (C20 H21 N3 OS)

Compound Name

2-(1,2-dimethyl-1H-indol-3-yl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

IUPAC name

5-(12-dimethyl-1H-indol-3-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-trien-3-ol

SMILES

Cc1c(C(Nc2c3c(CCCC4)c4s2)N=C3O)c(cccc2)c2n1C

InChI

InChI=1S/C20H21N3OS/c1-11-16(12-7-3-5-9-14(12)23(11)2)18-21-19(24)17-13-8-4-6-10-15(13)25-20(17)22-18/h3,5,7,9,18,22H,4,6,8,10H2,1-2H3,(H,21,24)/t18-/m1/s1

InChI Key

ZLUSWSHUBWHZNB-GOSISDBHSA-N

MDL Number (MFCD)

MFCD26961304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.47

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.954

Distribution Coefficient, logD

3.943

Water Solubility, LogSw

-4.25

Polar Surface Area

37.891

Acid Dissociation Constant (pKa)

8.99

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

5353-1017 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5353-1017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5353-1017?
Check Price and Availability of 5353-1017, 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 5353-1017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5353-1017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5353-1017
  • 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 5353-1017 available by request