C270-0597 Screening compound: 1-(2-methoxy-4-nitrophenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}urea

C270-0597 Screening compound: 1-(2-methoxy-4-nitrophenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}urea
C270-0597 Screening compound: 1-(2-methoxy-4-nitrophenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0597
1-(2-methoxy-4-nitrophenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}urea

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

C270-0597

Molecular Formula

C22H29N5O5 (C22 H29 N5 O5)

Compound Name

1-(2-methoxy-4-nitrophenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}urea

IUPAC name

1-(2-methoxy-4-nitrophenyl)-3-{3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl}urea

SMILES

COc(cc1)ccc1N1CCN(CCCNC(Nc(ccc([N+]([O-])=O)c2)c2OC)=O)CC1

InChI

InChI=1S/C22H29N5O5/c1-31-19-7-4-17(5-8-19)26-14-12-25(13-15-26)11-3-10-23-22(28)24-20-9-6-18(27(29)30)16-21(20)32-2/h4-9,16H,3,10-15H2,1-2H3,(H2,23,24,28)

InChI Key

RBNPBQDRPLHFQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739920

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.976

Distribution Coefficient, logD

2.543

Water Solubility, LogSw

-3.46

Polar Surface Area

88.806

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C270-0597 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C270-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0597?
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What is the minimum amount of C270-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0597
  • 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 C270-0597 available by request