1630-0044 Screening compound: 3-(3-bromopropyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

1630-0044 Screening compound: 3-(3-bromopropyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
1630-0044 Screening compound: 3-(3-bromopropyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-0044
3-(3-bromopropyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

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

1630-0044

Molecular Formula

C19H21BrN2O6 (C19 H21 BrN2 O6)

Compound Name

3-(3-bromopropyl) 5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate

IUPAC name

3-(3-bromopropyl) 5-methyl 26-dimethyl-4-(3-nitrophenyl)-14-dihydropyridine-35-dicarboxylate

SMILES

CC(NC(C)=C(C1c2cc([N+]([O-])=O)ccc2)C(OCCCBr)=O)=C1C(OC)=O

InChI

InChI=1S/C19H21BrN2O6/c1-11-15(18(23)27-3)17(13-6-4-7-14(10-13)22(25)26)16(12(2)21-11)19(24)28-9-5-8-20/h4,6-7,10,17,21H,5,8-9H2,1-3H3/t17-/m0/s1

InChI Key

MCIAPXKGANXQCE-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD00356556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.29

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.599

Distribution Coefficient, logD

-0.529

Water Solubility, LogSw

-3.69

Polar Surface Area

85.957

Acid Dissociation Constant (pKa)

3.27

Base Dissociation Constant (pKb)

-1.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.84

References: we are preparing a list of scientific research reports with 1630-0044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0044?
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What is the minimum amount of 1630-0044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0044
  • 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 1630-0044 available by request