C779-1400 Screening compound: 1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

C779-1400 Screening compound: 1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
C779-1400 Screening compound: 1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C779-1400
1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-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

C779-1400

Molecular Formula

C24H27N3O2S (C24 H27 N3 O2 S)

Compound Name

1-{4-methyl-4H-thieno[3,2-b]pyrrole-5-carbonyl}-N-(1,2,3,4-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

IUPAC name

1-{4-methyl-4H-thieno[32-b]pyrrole-5-carbonyl}-N-(1234-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide

SMILES

Cn(c(C(N(CC1)CCC1C(NC(CCC1)c2c1cccc2)=O)=O)c1)c2c1scc2

InChI

InChI=1S/C24H27N3O2S/c1-26-20-11-14-30-22(20)15-21(26)24(29)27-12-9-17(10-13-27)23(28)25-19-8-4-6-16-5-2-3-7-18(16)19/h2-3,5,7,11,14-15,17,19H,4,6,8-10,12-13H2,1H3,(H,25,28)/t19-/m0/s1

InChI Key

ITHQUGAPKMIRBI-IBGZPJMESA-N

MDL Number (MFCD)

MFCD28119329

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.56

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.457

Distribution Coefficient, logD

3.457

Water Solubility, LogSw

-3.78

Polar Surface Area

43.698

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

5.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

References: we are preparing a list of scientific research reports with C779-1400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C779-1400?
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What is the minimum amount of C779-1400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C779-1400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C779-1400
  • 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 C779-1400 available by request