8008-3493 Screening compound: N-((4-bromophenyl){[3-methyl-1,3-benzothiazol-2(3H)-yliden]amino}methyl)-N-[3-methyl-1,3-benzothiazol-2(3H)-yliden]amine

8008-3493 Screening compound: N-((4-bromophenyl){[3-methyl-1,3-benzothiazol-2(3H)-yliden]amino}methyl)-N-[3-methyl-1,3-benzothiazol-2(3H)-yliden]amine
8008-3493 Screening compound: N-((4-bromophenyl){[3-methyl-1,3-benzothiazol-2(3H)-yliden]amino}methyl)-N-[3-methyl-1,3-benzothiazol-2(3H)-yliden]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-3493
N-((4-bromophenyl){[3-methyl-1,3-benzothiazol-2(3H)-yliden]amino}methyl)-N-[3-methyl-1,3-benzothiazol-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

8008-3493

Molecular Formula

C23H19BrN4S2 (C23 H19 BrN4 S2)

Compound Name

N-((4-bromophenyl){[3-methyl-1,3-benzothiazol-2(3H)-yliden]amino}methyl)-N-[3-methyl-1,3-benzothiazol-2(3H)-yliden]amine

IUPAC name

1-(4-bromophenyl)-NN'-bis[(2Z)-3-methyl-23-dihydro-13-benzothiazol-2-ylidene]methanediamine

SMILES

CN(c(cccc1)c1S1)/C1=N/C(c(cc1)ccc1Br)/N=C1\Sc(cccc2)c2N1C

InChI

InChI=1S/C23H19BrN4S2/c1-27-17-7-3-5-9-19(17)29-22(27)25-21(15-11-13-16(24)14-12-15)26-23-28(2)18-8-4-6-10-20(18)30-23/h3-14,21H,1-2H3

InChI Key

RKWGSUVYHGREGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01306034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.675

Distribution Coefficient, logD

6.675

Water Solubility, LogSw

-6.04

Polar Surface Area

22.932

Acid Dissociation Constant (pKa)

33.20

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

8008-3493 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8008-3493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-3493?
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What is the minimum amount of 8008-3493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-3493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-3493
  • 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 8008-3493 available by request