8014-0424 Screening compound: 1-[5-({2-[(2-{[5-acetyl-3-(3-chlorophenyl)-1,3,4-thiadiazol-2(3H)-yliden]amino}phenyl)disulfanyl]phenyl}imino)-4-(3-chlorophenyl)-1,3,4-thiadiazol-2(4H)-yl]-1-ethanone

8014-0424 Screening compound: 1-[5-({2-[(2-{[5-acetyl-3-(3-chlorophenyl)-1,3,4-thiadiazol-2(3H)-yliden]amino}phenyl)disulfanyl]phenyl}imino)-4-(3-chlorophenyl)-1,3,4-thiadiazol-2(4H)-yl]-1-ethanone
8014-0424 Screening compound: 1-[5-({2-[(2-{[5-acetyl-3-(3-chlorophenyl)-1,3,4-thiadiazol-2(3H)-yliden]amino}phenyl)disulfanyl]phenyl}imino)-4-(3-chlorophenyl)-1,3,4-thiadiazol-2(4H)-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-0424
1-[5-({2-[(2-{[5-acetyl-3-(3-chlorophenyl)-1,3,4-thiadiazol-2(3H)-yliden]amino}phenyl)disulfanyl]phenyl}imino)-4-(3-chlorophenyl)-1,3,4-thiadiazol-2(4H)-yl]-1-ethanone

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

8014-0424

Molecular Formula

C32H22Cl2N6O2S4 (C32 H22 Cl2 N6 O2 S4)

Compound Name

1-[5-({2-[(2-{[5-acetyl-3-(3-chlorophenyl)-1,3,4-thiadiazol-2(3H)-yliden]amino}phenyl)disulfanyl]phenyl}imino)-4-(3-chlorophenyl)-1,3,4-thiadiazol-2(4H)-yl]-1-ethanone

IUPAC name

1-[(5Z)-5-({2-[(2-{[(2Z)-5-acetyl-3-(3-chlorophenyl)-23-dihydro-134-thiadiazol-2-ylidene]amino}phenyl)disulfanyl]phenyl}imino)-4-(3-chlorophenyl)-45-dihydro-134-thiadiazol-2-yl]ethan-1-one

SMILES

CC(C(S/C1=N\c(cccc2)c2SSc(cccc2)c2/N=C2\SC(C(C)=O)=NN2c2cccc(Cl)c2)=NN1c1cc(Cl)ccc1)=O

InChI

InChI=1S/C32H22Cl2N6O2S4/c1-19(41)29-37-39(23-11-7-9-21(33)17-23)31(43-29)35-25-13-3-5-15-27(25)45-46-28-16-6-4-14-26(28)36-32-40(38-30(44-32)20(2)42)24-12-8-10-22(34)18-24/h3-18H,1-2H3

InChI Key

IHRCRYJOTAXDBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03198128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

721.74

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.000

Distribution Coefficient, logD

8.000

Water Solubility, LogSw

-6.32

Polar Surface Area

70.672

Acid Dissociation Constant (pKa)

25.37

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

8014-0424 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8014-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 8014-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-0424
  • 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 8014-0424 available by request