1313-0864 Screening compound: 2-chloro-N~1~-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide

1313-0864 Screening compound: 2-chloro-N~1~-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide
1313-0864 Screening compound: 2-chloro-N~1~-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1313-0864
2-chloro-N~1~-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide

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

1313-0864

Molecular Formula

C12H12ClN3OS (C12 H12 ClN3 OS)

Compound Name

2-chloro-N~1~-(5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-yl)acetamide

IUPAC name

2-chloro-N-{8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-3-yl}acetamide

SMILES

O=C(CCl)Nc1ncnc2c1c(CCCC1)c1s2

InChI

InChI=1S/C12H12ClN3OS/c13-5-9(17)16-11-10-7-3-1-2-4-8(7)18-12(10)15-6-14-11/h6H,1-5H2,(H,14,15,16,17)

InChI Key

QXSAIEPHMJOGQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00807880

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.77

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.796

Distribution Coefficient, logD

1.952

Water Solubility, LogSw

-3.23

Polar Surface Area

44.863

Acid Dissociation Constant (pKa)

6.62

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.70

1313-0864 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 1313-0864 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 1313-0864 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1313-0864
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1313-0864
  • 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 1313-0864 available by request