8012-9627 Screening compound: 2-[3-allyl-4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2(3H)-yliden]-N~1~-phenyl-1-hydrazinecarboxamide

8012-9627 Screening compound: 2-[3-allyl-4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2(3H)-yliden]-N~1~-phenyl-1-hydrazinecarboxamide
8012-9627 Screening compound: 2-[3-allyl-4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2(3H)-yliden]-N~1~-phenyl-1-hydrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9627
2-[3-allyl-4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2(3H)-yliden]-N~1~-phenyl-1-hydrazinecarboxamide

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

8012-9627

Molecular Formula

C21H21BrN4O3S (C21 H21 BrN4 O3 S)

Compound Name

2-[3-allyl-4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2(3H)-yliden]-N~1~-phenyl-1-hydrazinecarboxamide

IUPAC name

3-{[(2E)-4-(5-bromo-24-dimethoxyphenyl)-3-(prop-2-en-1-yl)-23-dihydro-13-thiazol-2-ylidene]amino}-1-phenylurea

SMILES

COc(c(C(N1CC=C)=CS/C1=N/NC(Nc1ccccc1)=O)c1)cc(OC)c1Br

InChI

InChI=1S/C21H21BrN4O3S/c1-4-10-26-17(15-11-16(22)19(29-3)12-18(15)28-2)13-30-21(26)25-24-20(27)23-14-8-6-5-7-9-14/h4-9,11-13H,1,10H2,2-3H3,(H2,23,24,27)

InChI Key

BMUQSFXAQWLHRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03231154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

489.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.430

Distribution Coefficient, logD

5.428

Water Solubility, LogSw

-5.35

Polar Surface Area

63.173

Acid Dissociation Constant (pKa)

9.90

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

8012-9627 in Drug Discovery

Included in Screening Libraries

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8012-9627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9627?
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What is the minimum amount of 8012-9627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9627
  • 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 8012-9627 available by request