E635-0679 Screening compound: 1-(2-bromophenyl)-3-{[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea

E635-0679 Screening compound: 1-(2-bromophenyl)-3-{[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea
E635-0679 Screening compound: 1-(2-bromophenyl)-3-{[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0679
1-(2-bromophenyl)-3-{[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea

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

E635-0679

Molecular Formula

C21H23BrN4OS (C21 H23 BrN4 OS)

Compound Name

1-(2-bromophenyl)-3-{[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]methyl}urea

IUPAC name

1-(2-bromophenyl)-3-{[6-ethyl-2-(1H-pyrrol-1-yl)-4H5H6H7H-thieno[23-c]pyridin-3-yl]methyl}urea

SMILES

CCN(CC1)Cc2c1c(CNC(Nc(cccc1)c1Br)=O)c(-n1cccc1)s2

InChI

InChI=1S/C21H23BrN4OS/c1-2-25-12-9-15-16(20(28-19(15)14-25)26-10-5-6-11-26)13-23-21(27)24-18-8-4-3-7-17(18)22/h3-8,10-11H,2,9,12-14H2,1H3,(H2,23,24,27)

InChI Key

HVMUEDUCSSIVGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14906040

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

459.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.632

Distribution Coefficient, logD

2.717

Water Solubility, LogSw

-4.19

Polar Surface Area

41.611

Acid Dissociation Constant (pKa)

11.93

Base Dissociation Constant (pKb)

9.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with E635-0679 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0679?
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What is the minimum amount of E635-0679 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0679
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0679
  • 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 E635-0679 available by request