C091-0186 Screening compound: 3-({7-[4-(4-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol

C091-0186 Screening compound: 3-({7-[4-(4-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol
C091-0186 Screening compound: 3-({7-[4-(4-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound C091-0186
3-({7-[4-(4-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol

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

C091-0186

Molecular Formula

C19H21FN6O4 (C19 H21 FN6 O4)

Compound Name

3-({7-[4-(4-fluorophenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazol-5-yl}amino)propan-1-ol

IUPAC name

3-({7-[4-(4-fluorophenyl)piperazin-1-yl]-4-nitro-213-benzoxadiazol-5-yl}amino)propan-1-ol

SMILES

[O-][N+](c(c1nonc1c(N(CC1)CCN1c(cc1)ccc1F)c1)c1NCCCO)=O

InChI

InChI=1S/C19H21FN6O4/c20-13-2-4-14(5-3-13)24-7-9-25(10-8-24)16-12-15(21-6-1-11-27)19(26(28)29)18-17(16)22-30-23-18/h2-5,12,21,27H,1,6-11H2

InChI Key

UJYWLLXZHJNHRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05026719

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.485

Water Solubility, LogSw

-3.86

Polar Surface Area

102.596

Acid Dissociation Constant (pKa)

15.67

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

C091-0186 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 C091-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C091-0186?
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What is the minimum amount of C091-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C091-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C091-0186
  • 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 C091-0186 available by request