3030-2328 Screening compound: 7-(tert-butyl)-2-[4-(dimethylamino)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

3030-2328 Screening compound: 7-(tert-butyl)-2-[4-(dimethylamino)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
3030-2328 Screening compound: 7-(tert-butyl)-2-[4-(dimethylamino)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 3030-2328
7-(tert-butyl)-2-[4-(dimethylamino)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

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

3030-2328

Molecular Formula

C22H29N3OS (C22 H29 N3 OS)

Compound Name

7-(tert-butyl)-2-[4-(dimethylamino)phenyl]-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one

IUPAC name

11-tert-butyl-5-[4-(dimethylamino)phenyl]-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)-dien-3-one

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(NC(c(cc1)ccc1N(C)C)N1)=O)c1s2

InChI

InChI=1S/C22H29N3OS/c1-22(2,3)14-8-11-16-17(12-14)27-21-18(16)20(26)23-19(24-21)13-6-9-15(10-7-13)25(4)5/h6-7,9-10,14,19,24H,8,11-12H2,1-5H3,(H,23,26)

InChI Key

LEVOIKJTRLSWOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02223101

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.56

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.885

Distribution Coefficient, logD

4.858

Water Solubility, LogSw

-4.66

Polar Surface Area

39.005

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

6.21

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

3030-2328 in Drug Discovery

Included in Screening Libraries

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 3030-2328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3030-2328?
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What is the minimum amount of 3030-2328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3030-2328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3030-2328
  • 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 3030-2328 available by request