C259-1050 Screening compound: 1,3-dimethyl 5-{1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate

C259-1050 Screening compound: 1,3-dimethyl 5-{1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate
C259-1050 Screening compound: 1,3-dimethyl 5-{1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C259-1050
1,3-dimethyl 5-{1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate

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

C259-1050

Molecular Formula

C27H30BrN3O8S (C27 H30 BrN3 O8 S)

Compound Name

1,3-dimethyl 5-{1-[(5-bromo-1-propanoyl-2,3-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{1-[(5-bromo-1-propanoyl-23-dihydro-1H-indol-6-yl)sulfonyl]piperidine-3-amido}benzene-13-dicarboxylate

SMILES

CCC(N(CCc1c2)c1cc(S(N(CCC1)CC1C(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O)(=O)=O)c2Br)=O

InChI

InChI=1S/C27H30BrN3O8S/c1-4-24(32)31-9-7-16-13-21(28)23(14-22(16)31)40(36,37)30-8-5-6-17(15-30)25(33)29-20-11-18(26(34)38-2)10-19(12-20)27(35)39-3/h10-14,17H,4-9,15H2,1-3H3,(H,29,33)/t17-/m0/s1

InChI Key

BSCDMGQWMBLHEJ-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14737141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

636.52

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.839

Distribution Coefficient, logD

3.839

Water Solubility, LogSw

-4.00

Polar Surface Area

112.745

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.74

References: we are preparing a list of scientific research reports with C259-1050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C259-1050?
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What is the minimum amount of C259-1050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C259-1050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C259-1050
  • 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 C259-1050 available by request