6540-0041 Screening compound: 7-(tert-butyl)-2-(5-methyl-2-furyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

6540-0041 Screening compound: 7-(tert-butyl)-2-(5-methyl-2-furyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol
6540-0041 Screening compound: 7-(tert-butyl)-2-(5-methyl-2-furyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6540-0041
7-(tert-butyl)-2-(5-methyl-2-furyl)-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

6540-0041

Molecular Formula

C19H24N2O2S (C19 H24 N2 O2 S)

Compound Name

7-(tert-butyl)-2-(5-methyl-2-furyl)-1,2,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4-ol

IUPAC name

11-tert-butyl-5-(5-methylfuran-2-yl)-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)3-trien-3-ol

SMILES

CC(C)(C)C(CC1)Cc2c1c(C(O)=NC(c1ccc(C)o1)N1)c1s2

InChI

InChI=1S/C19H24N2O2S/c1-10-5-8-13(23-10)16-20-17(22)15-12-7-6-11(19(2,3)4)9-14(12)24-18(15)21-16/h5,8,11,16,21H,6-7,9H2,1-4H3,(H,20,22)

InChI Key

UTKJMHAAJYVZNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07436972

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.953

Distribution Coefficient, logD

4.938

Water Solubility, LogSw

-4.59

Polar Surface Area

43.701

Acid Dissociation Constant (pKa)

8.96

Base Dissociation Constant (pKb)

5.16

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.60

6540-0041 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6540-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6540-0041?
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What is the minimum amount of 6540-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6540-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6540-0041
  • 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 6540-0041 available by request