1950-0237 Screening compound: 3-(4-nitrobenzoyl)-1,2-bis(propane-1-sulfonyl)-7-(pyridin-4-yl)indolizine

1950-0237 Screening compound: 3-(4-nitrobenzoyl)-1,2-bis(propane-1-sulfonyl)-7-(pyridin-4-yl)indolizine
1950-0237 Screening compound: 3-(4-nitrobenzoyl)-1,2-bis(propane-1-sulfonyl)-7-(pyridin-4-yl)indolizine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1950-0237
3-(4-nitrobenzoyl)-1,2-bis(propane-1-sulfonyl)-7-(pyridin-4-yl)indolizine

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

1950-0237

Molecular Formula

C26H25N3O7S2 (C26 H25 N3 O7 S2)

Compound Name

3-(4-nitrobenzoyl)-1,2-bis(propane-1-sulfonyl)-7-(pyridin-4-yl)indolizine

IUPAC name

3-(4-nitrobenzoyl)-12-bis(propane-1-sulfonyl)-7-(pyridin-4-yl)indolizine

SMILES

CCCS(c1c(cc(cc2)-c3ccncc3)n2c(C(c(cc2)ccc2[N+]([O-])=O)=O)c1S(CCC)(=O)=O)(=O)=O

InChI

InChI=1S/C26H25N3O7S2/c1-3-15-37(33,34)25-22-17-20(18-9-12-27-13-10-18)11-14-28(22)23(26(25)38(35,36)16-4-2)24(30)19-5-7-21(8-6-19)29(31)32/h5-14,17H,3-4,15-16H2,1-2H3

InChI Key

PGYYFKYACKMQSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01117983

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

555.63

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.543

Water Solubility, LogSw

-3.79

Polar Surface Area

112.775

Acid Dissociation Constant (pKa)

21.51

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

1950-0237 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1950-0237 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1950-0237?
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What is the minimum amount of 1950-0237 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1950-0237
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1950-0237
  • 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 1950-0237 available by request