D561-0607 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclopropylamino)-1,3-oxazole-4-carbonitrile

D561-0607 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclopropylamino)-1,3-oxazole-4-carbonitrile
D561-0607 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclopropylamino)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0607
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclopropylamino)-1,3-oxazole-4-carbonitrile

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

D561-0607

Molecular Formula

C18H14BrN3O3 (C18 H14 BrN3 O3)

Compound Name

2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclopropylamino)-1,3-oxazole-4-carbonitrile

IUPAC name

2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(cyclopropylamino)-13-oxazole-4-carbonitrile

SMILES

N#Cc1c(NC2CC2)oc(-c2ccc(COc(cc3)ccc3Br)o2)n1

InChI

InChI=1S/C18H14BrN3O3/c19-11-1-5-13(6-2-11)23-10-14-7-8-16(24-14)18-22-15(9-20)17(25-18)21-12-3-4-12/h1-2,5-8,12,21H,3-4,10H2

InChI Key

JNMQYOILUZMRAB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181352

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.336

Distribution Coefficient, logD

4.336

Water Solubility, LogSw

-4.48

Polar Surface Area

61.403

Acid Dissociation Constant (pKa)

15.93

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D561-0607 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with D561-0607 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0607?
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What is the minimum amount of D561-0607 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0607
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0607
  • 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 D561-0607 available by request