8008-3874 Screening compound: 3,6-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[2,3-b]pyridin-5-yl cyanide

8008-3874 Screening compound: 3,6-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[2,3-b]pyridin-5-yl cyanide
8008-3874 Screening compound: 3,6-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[2,3-b]pyridin-5-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3874
3,6-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[2,3-b]pyridin-5-yl cyanide

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

8008-3874

Molecular Formula

C21H12ClIN4OS (C21 H12 ClIN4 OS)

Compound Name

3,6-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[2,3-b]pyridin-5-yl cyanide

IUPAC name

36-diamino-2-(4-chlorobenzoyl)-4-(2-iodophenyl)thieno[23-b]pyridine-5-carbonitrile

SMILES

Nc1c(C(c(cc2)ccc2Cl)=O)sc(nc2N)c1c(-c(cccc1)c1I)c2C#N

InChI

InChI=1S/C21H12ClIN4OS/c22-11-7-5-10(6-8-11)18(28)19-17(25)16-15(12-3-1-2-4-14(12)23)13(9-24)20(26)27-21(16)29-19/h1-8H,25H2,(H2,26,27)

InChI Key

BYOCRHHRURIQKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01085731

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.78

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.235

Distribution Coefficient, logD

5.235

Water Solubility, LogSw

-5.84

Polar Surface Area

80.293

Acid Dissociation Constant (pKa)

18.66

Base Dissociation Constant (pKb)

2.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8008-3874 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3874?
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What is the minimum amount of 8008-3874 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3874
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3874
  • 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 8008-3874 available by request