F813-2853 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(diethylamino)-2-methylphenyl]acetamide

F813-2853 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(diethylamino)-2-methylphenyl]acetamide
F813-2853 Screening compound: 2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(diethylamino)-2-methylphenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F813-2853
2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(diethylamino)-2-methylphenyl]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

F813-2853

Molecular Formula

C24H32N6OS2 (C24 H32 N6 OS2)

Compound Name

2-{[2-(azepan-1-yl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]sulfanyl}-N-[4-(diethylamino)-2-methylphenyl]acetamide

IUPAC name

2-{[2-(azepan-1-yl)-[13]thiazolo[45-d]pyrimidin-7-yl]sulfanyl}-N-[4-(diethylamino)-2-methylphenyl]acetamide

SMILES

CCN(CC)c(cc1)cc(C)c1NC(CSc1c2sc(N3CCCCCC3)nc2ncn1)=O

InChI

InChI=1S/C24H32N6OS2/c1-4-29(5-2)18-10-11-19(17(3)14-18)27-20(31)15-32-23-21-22(25-16-26-23)28-24(33-21)30-12-8-6-7-9-13-30/h10-11,14,16H,4-9,12-13,15H2,1-3H3,(H,27,31)

InChI Key

XDAHHVHWBFBUOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27193484

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.69

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.396

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.20

Polar Surface Area

59.741

Acid Dissociation Constant (pKa)

12.33

Base Dissociation Constant (pKb)

9.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

F813-2853 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F813-2853 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F813-2853?
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What is the minimum amount of F813-2853 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F813-2853
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F813-2853
  • 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 F813-2853 available by request