8009-7801 Screening compound: N-(4-iodophenyl)-N-[3-methyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-thiazol-2(3H)-yliden]amine

8009-7801 Screening compound: N-(4-iodophenyl)-N-[3-methyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-thiazol-2(3H)-yliden]amine
8009-7801 Screening compound: N-(4-iodophenyl)-N-[3-methyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-thiazol-2(3H)-yliden]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7801
N-(4-iodophenyl)-N-[3-methyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-thiazol-2(3H)-yliden]amine

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

8009-7801

Molecular Formula

C20H20IN3O2S2 (C20 H20 IN3 O2 S2)

Compound Name

N-(4-iodophenyl)-N-[3-methyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,3-thiazol-2(3H)-yliden]amine

IUPAC name

(2Z)-N-(4-iodophenyl)-3-methyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-23-dihydro-13-thiazol-2-imine

SMILES

CN(C(c(cc1)ccc1S(N1CCCC1)(=O)=O)=CS1)/C1=N/c(cc1)ccc1I

InChI

InChI=1S/C20H20IN3O2S2/c1-23-19(14-27-20(23)22-17-8-6-16(21)7-9-17)15-4-10-18(11-5-15)28(25,26)24-12-2-3-13-24/h4-11,14H,2-3,12-13H2,1H3

InChI Key

KFYOESMGKDLIFJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820260

Chemical and Physical Properties

Saltdata

HBr

Molecular Weight

525.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.230

Distribution Coefficient, logD

5.230

Water Solubility, LogSw

-5.07

Polar Surface Area

43.417

Acid Dissociation Constant (pKa)

27.94

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8009-7801 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7801?
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What is the minimum amount of 8009-7801 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7801
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7801
  • 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 8009-7801 available by request