2897-0951 Screening compound: 4-({2,6-diiodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid

2897-0951 Screening compound: 4-({2,6-diiodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid
2897-0951 Screening compound: 4-({2,6-diiodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2897-0951
4-({2,6-diiodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid

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

2897-0951

Molecular Formula

C19H12I2N2O6 (C19 H12 I2 N2 O6)

Compound Name

4-({2,6-diiodo-4-[(2,4,6-trioxo-1,3-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid

IUPAC name

4-({26-diiodo-4-[(246-trioxo-13-diazinan-5-ylidene)methyl]phenoxy}methyl)benzoic acid

SMILES

OC(c1ccc(COc(c(I)cc(C=C(C(NC(N2)=O)=O)C2=O)c2)c2I)cc1)=O

InChI

InChI=1S/C19H12I2N2O6/c20-13-6-10(5-12-16(24)22-19(28)23-17(12)25)7-14(21)15(13)29-8-9-1-3-11(4-2-9)18(26)27/h1-7H,8H2,(H,26,27)(H2,22,23,24,25,28)

InChI Key

GJTGHHZDFJXOTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02085103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

618.12

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

0.997

Water Solubility, LogSw

-4.27

Polar Surface Area

98.452

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-6.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

2897-0951 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 2897-0951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2897-0951?
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What is the minimum amount of 2897-0951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2897-0951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2897-0951
  • 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 2897-0951 available by request