1400-7866 Screening compound: 3-{[(E)-1-(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

1400-7866 Screening compound: 3-{[(E)-1-(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
1400-7866 Screening compound: 3-{[(E)-1-(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1400-7866
3-{[(E)-1-(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-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

1400-7866

Molecular Formula

C18H16IN3OS (C18 H16 IN3 OS)

Compound Name

3-{[(E)-1-(2-iodophenyl)methylidene]amino}-2-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one

IUPAC name

4-[(E)-[(2-iodophenyl)methylidene]amino]-5-methyl-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-3-one

SMILES

CC(N1/N=C/c(cccc2)c2I)=Nc(sc2c3CCCC2)c3C1=O

InChI

InChI=1S/C18H16IN3OS/c1-11-21-17-16(13-7-3-5-9-15(13)24-17)18(23)22(11)20-10-12-6-2-4-8-14(12)19/h2,4,6,8,10H,3,5,7,9H2,1H3

InChI Key

QXJKVBQBZUTOLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00688071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.323

Distribution Coefficient, logD

4.321

Water Solubility, LogSw

-4.50

Polar Surface Area

34.624

Acid Dissociation Constant (pKa)

22.71

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

References: we are preparing a list of scientific research reports with 1400-7866 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1400-7866?
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What is the minimum amount of 1400-7866 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1400-7866
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1400-7866
  • 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 1400-7866 available by request