E635-0694 Screening compound: methyl 4-chloro-2-[({[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]benzoate

E635-0694 Screening compound: methyl 4-chloro-2-[({[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}carbamoyl)amino]benzoate
E635-0694 Screening compound: methyl 4-chloro-2-[({[6-ethyl-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 E635-0694
methyl 4-chloro-2-[({[6-ethyl-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

E635-0694

Molecular Formula

C23H25ClN4O3S (C23 H25 ClN4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)Cc2c1c(CNC(Nc(cc(cc1)Cl)c1C(OC)=O)=O)c(-n1cccc1)s2

InChI

InChI=1S/C23H25ClN4O3S/c1-3-27-11-8-16-18(21(32-20(16)14-27)28-9-4-5-10-28)13-25-23(30)26-19-12-15(24)6-7-17(19)22(29)31-2/h4-7,9-10,12H,3,8,11,13-14H2,1-2H3,(H2,25,26,30)

InChI Key

QSDALLWCFVMYOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906050

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-4.69

Polar Surface Area

62.785

Acid Dissociation Constant (pKa)

8.01

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

E635-0694 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with E635-0694 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0694?
Check Price and Availability of E635-0694, 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 E635-0694 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0694
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0694
  • 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 E635-0694 available by request