4673-0495 Screening compound: N~2~-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]-2-thiophenecarboxamide

4673-0495 Screening compound: N~2~-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]-2-thiophenecarboxamide
4673-0495 Screening compound: N~2~-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]-2-thiophenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4673-0495
N~2~-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]-2-thiophenecarboxamide

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

4673-0495

Molecular Formula

C21H17N3OS3 (C21 H17 N3 OS3)

Compound Name

N~2~-[2-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-ylsulfanyl)phenyl]-2-thiophenecarboxamide

IUPAC name

N-(2-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-ylsulfanyl}phenyl)thiophene-2-carboxamide

SMILES

O=C(c1cccs1)Nc(cccc1)c1Sc1c(c(CCCC2)c2s2)c2ncn1

InChI

InChI=1S/C21H17N3OS3/c25-19(17-10-5-11-26-17)24-14-7-2-4-9-16(14)28-21-18-13-6-1-3-8-15(13)27-20(18)22-12-23-21/h2,4-5,7,9-12H,1,3,6,8H2,(H,24,25)

InChI Key

XXRTXVNVZUBUKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03065346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.727

Distribution Coefficient, logD

5.727

Water Solubility, LogSw

-5.99

Polar Surface Area

44.345

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with 4673-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4673-0495?
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What is the minimum amount of 4673-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4673-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4673-0495
  • 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 4673-0495 available by request