5625-0087 Screening compound: 2-[(2E)-2-[(2E)-2-[(5-bromothiophen-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

5625-0087 Screening compound: 2-[(2E)-2-[(2E)-2-[(5-bromothiophen-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
5625-0087 Screening compound: 2-[(2E)-2-[(2E)-2-[(5-bromothiophen-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5625-0087
2-[(2E)-2-[(2E)-2-[(5-bromothiophen-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

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

5625-0087

Molecular Formula

C10H8BrN3O3S2 (C10 H8 BrN3 O3 S2)

Compound Name

2-[(2E)-2-[(2E)-2-[(5-bromothiophen-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid

IUPAC name

2-[(2E)-2-[(2E)-2-[(5-bromothiophen-2-yl)methylidene]hydrazin-1-ylidene]-4-oxo-13-thiazolidin-5-yl]acetic acid

SMILES

OC(CC(C(N1)=O)S/C1=N/N=C/c(s1)ccc1Br)=O

InChI

InChI=1S/C10H8BrN3O3S2/c11-7-2-1-5(18-7)4-12-14-10-13-9(17)6(19-10)3-8(15)16/h1-2,4,6H,3H2,(H,15,16)(H,13,14,17)/t6-/m1/s1

InChI Key

AFROSEMYZNHCMC-ZCFIWIBFSA-N

MDL Number (MFCD)

MFCD03321317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.788

Distribution Coefficient, logD

-0.998

Water Solubility, LogSw

-2.52

Polar Surface Area

74.093

Acid Dissociation Constant (pKa)

4.61

Base Dissociation Constant (pKb)

0.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

5625-0087 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5625-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5625-0087?
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What is the minimum amount of 5625-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5625-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5625-0087
  • 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 5625-0087 available by request