C800-0843 Screening compound: methyl 3-[({[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]benzoate

C800-0843 Screening compound: methyl 3-[({[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]benzoate
C800-0843 Screening compound: methyl 3-[({[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C800-0843
methyl 3-[({[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]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

C800-0843

Molecular Formula

C22H24N4O3S (C22 H24 N4 O3 S)

Compound Name

methyl 3-[({[6-methyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]benzoate

IUPAC name

methyl 3-[({[6-methyl-2-(1H-pyrrol-1-yl)-4H5H6H7H-thieno[23-c]pyridin-3-yl]methyl}carbamoyl)amino]benzoate

SMILES

CN(CC1)Cc2c1c(CNC(Nc1cc(C(OC)=O)ccc1)=O)c(-n1cccc1)s2

InChI

InChI=1S/C22H24N4O3S/c1-25-11-8-17-18(20(30-19(17)14-25)26-9-3-4-10-26)13-23-22(28)24-16-7-5-6-15(12-16)21(27)29-2/h3-7,9-10,12H,8,11,13-14H2,1-2H3,(H2,23,24,28)

InChI Key

JTPWKXNRCOADNT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14799901

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

2.294

Water Solubility, LogSw

-4.21

Polar Surface Area

63.423

Acid Dissociation Constant (pKa)

12.69

Base Dissociation Constant (pKb)

9.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C800-0843 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C800-0843 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C800-0843?
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What is the minimum amount of C800-0843 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C800-0843
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C800-0843
  • 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 C800-0843 available by request