D561-0991 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(diethylamino)-1,3-oxazole-4-carbonitrile

D561-0991 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(diethylamino)-1,3-oxazole-4-carbonitrile
D561-0991 Screening compound: 2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(diethylamino)-1,3-oxazole-4-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound D561-0991
2-{5-[(4-bromophenoxy)methyl]furan-2-yl}-5-(diethylamino)-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

D561-0991

Molecular Formula

C19H18BrN3O3 (C19 H18 BrN3 O3)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)c1c(C#N)nc(-c2ccc(COc(cc3)ccc3Br)o2)o1

InChI

InChI=1S/C19H18BrN3O3/c1-3-23(4-2)19-16(11-21)22-18(26-19)17-10-9-15(25-17)12-24-14-7-5-13(20)6-8-14/h5-10H,3-4,12H2,1-2H3

InChI Key

BGMPPHMOLQZOQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18181381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.27

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.932

Distribution Coefficient, logD

4.932

Water Solubility, LogSw

-4.70

Polar Surface Area

54.107

Acid Dissociation Constant (pKa)

27.52

Base Dissociation Constant (pKb)

-2.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D561-0991 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D561-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D561-0991?
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What is the minimum amount of D561-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D561-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D561-0991
  • 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 D561-0991 available by request