3993-2265 Screening compound: 4-{[(diethylamino)carbothioyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

3993-2265 Screening compound: 4-{[(diethylamino)carbothioyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
3993-2265 Screening compound: 4-{[(diethylamino)carbothioyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 3993-2265
4-{[(diethylamino)carbothioyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

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

3993-2265

Molecular Formula

C16H21N3S3 (C16 H21 N3 S3)

Compound Name

4-{[(diethylamino)carbothioyl]sulfanyl}-7-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine

IUPAC name

NN-diethyl-1-({11-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}sulfanyl)methanethioamide

SMILES

CCN(CC)C(Sc1ncnc2c1c(CCC(C)C1)c1s2)=S

InChI

InChI=1S/C16H21N3S3/c1-4-19(5-2)16(20)22-15-13-11-7-6-10(3)8-12(11)21-14(13)17-9-18-15/h9-10H,4-8H2,1-3H3/t10-/m1/s1

InChI Key

FTBLKUPJDYHNJU-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD02329300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.25

Polar Surface Area

23.309

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

2.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

56.30

References: we are preparing a list of scientific research reports with 3993-2265 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3993-2265?
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What is the minimum amount of 3993-2265 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3993-2265
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3993-2265
  • 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 3993-2265 available by request