C795-1228 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-methoxybenzyl)-4-piperidinecarboxamide

C795-1228 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-methoxybenzyl)-4-piperidinecarboxamide
C795-1228 Screening compound: 1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-methoxybenzyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1228
1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-methoxybenzyl)-4-piperidinecarboxamide

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

C795-1228

Molecular Formula

C22H27N5O2S (C22 H27 N5 O2 S)

Compound Name

1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]-N-(4-methoxybenzyl)-4-piperidinecarboxamide

IUPAC name

1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

Cc1ccc(C)n1-c1nnc(N(CC2)CCC2C(NCc(cc2)ccc2OC)=O)s1

InChI

InChI=1S/C22H27N5O2S/c1-15-4-5-16(2)27(15)22-25-24-21(30-22)26-12-10-18(11-13-26)20(28)23-14-17-6-8-19(29-3)9-7-17/h4-9,18H,10-14H2,1-3H3,(H,23,28)

InChI Key

BDWSNDXAWJOLKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.031

Distribution Coefficient, logD

3.031

Water Solubility, LogSw

-3.15

Polar Surface Area

61.671

Acid Dissociation Constant (pKa)

13.57

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with C795-1228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1228?
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What is the minimum amount of C795-1228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1228
  • 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 C795-1228 available by request