C857-1839 Screening compound: ethyl 4-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate

C857-1839 Screening compound: ethyl 4-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate
C857-1839 Screening compound: ethyl 4-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C857-1839
ethyl 4-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}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

C857-1839

Molecular Formula

C23H27N5O3S (C23 H27 N5 O3 S)

Compound Name

ethyl 4-{1-[5-(2,5-dimethyl-1H-pyrrol-1-yl)-1,3,4-thiadiazol-2-yl]piperidine-4-amido}benzoate

IUPAC name

ethyl 4-{1-[5-(25-dimethyl-1H-pyrrol-1-yl)-134-thiadiazol-2-yl]piperidine-4-amido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(CC1)CCN1c1nnc(-n2c(C)ccc2C)s1)=O)=O

InChI

InChI=1S/C23H27N5O3S/c1-4-31-21(30)18-7-9-19(10-8-18)24-20(29)17-11-13-27(14-12-17)22-25-26-23(32-22)28-15(2)5-6-16(28)3/h5-10,17H,4,11-14H2,1-3H3,(H,24,29)

InChI Key

VTSAFRCTLSWDKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801109

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.962

Distribution Coefficient, logD

3.961

Water Solubility, LogSw

-3.84

Polar Surface Area

73.559

Acid Dissociation Constant (pKa)

10.39

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C857-1839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C857-1839?
Check Price and Availability of C857-1839, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C857-1839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C857-1839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C857-1839
  • 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 C857-1839 available by request