SD39-0896 Screening compound: methyl 3-[({[8-phenyl-7-(3-pyridylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl]carbonyl}amino)methyl]benzoate

SD39-0896 Screening compound: methyl 3-[({[8-phenyl-7-(3-pyridylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl]carbonyl}amino)methyl]benzoate
SD39-0896 Screening compound: methyl 3-[({[8-phenyl-7-(3-pyridylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl]carbonyl}amino)methyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound SD39-0896
methyl 3-[({[8-phenyl-7-(3-pyridylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl]carbonyl}amino)methyl]benzoate

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

SD39-0896

Molecular Formula

C28H27N5O3 (C28 H27 N5 O3)

Compound Name

methyl 3-[({[8-phenyl-7-(3-pyridylmethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazin-2-yl]carbonyl}amino)methyl]benzoate

IUPAC name

methyl 3-[({8-phenyl-7-[(pyridin-3-yl)methyl]-5H6H7H8H-imidazo[12-a]pyrazin-2-yl}formamido)methyl]benzoate

SMILES

COC(c1cc(CNC(c2cn(CCN(Cc3cnccc3)C3c4ccccc4)c3n2)=O)ccc1)=O

InChI

InChI=1S/C28H27N5O3/c1-36-28(35)23-11-5-7-20(15-23)17-30-27(34)24-19-33-14-13-32(18-21-8-6-12-29-16-21)25(26(33)31-24)22-9-3-2-4-10-22/h2-12,15-16,19,25H,13-14,17-18H2,1H3,(H,30,34)/t25-/m1/s1

InChI Key

DPXIOVGJSNFWSE-RUZDIDTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.186

Distribution Coefficient, logD

3.186

Water Solubility, LogSw

-3.15

Polar Surface Area

70.188

Acid Dissociation Constant (pKa)

12.80

Base Dissociation Constant (pKb)

3.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.43

References: we are preparing a list of scientific research reports with SD39-0896 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD39-0896?
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What is the minimum amount of SD39-0896 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD39-0896
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD39-0896
  • 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 SD39-0896 available by request