C857-2248 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide

C857-2248 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
C857-2248 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-2248
1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide

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

C857-2248

Molecular Formula

C23H29N5O2S (C23 H29 N5 O2 S)

Compound Name

1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide

IUPAC name

1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide

SMILES

CCOc1c(CNC(C(CCC2)CN2c2nnc(-n3c(C)ccc3C)s2)=O)cccc1

InChI

InChI=1S/C23H29N5O2S/c1-4-30-20-10-6-5-8-18(20)14-24-21(29)19-9-7-13-27(15-19)22-25-26-23(31-22)28-16(2)11-12-17(28)3/h5-6,8,10-12,19H,4,7,9,13-15H2,1-3H3,(H,24,29)/t19-/m0/s1

InChI Key

DDQHRKGKAIQLDG-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14801234

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.641

Distribution Coefficient, logD

3.641

Water Solubility, LogSw

-3.64

Polar Surface Area

61.271

Acid Dissociation Constant (pKa)

12.49

Base Dissociation Constant (pKb)

2.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with C857-2248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-2248?
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What is the minimum amount of C857-2248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-2248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-2248
  • 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 C857-2248 available by request