E635-0431 Screening compound: 3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]-4-methylpentyl}-1-[(4-methylphenyl)methyl]urea

E635-0431 Screening compound: 3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]-4-methylpentyl}-1-[(4-methylphenyl)methyl]urea
E635-0431 Screening compound: 3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]-4-methylpentyl}-1-[(4-methylphenyl)methyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound E635-0431
3-{1-[6-ethyl-2-(1H-pyrrol-1-yl)-4H,5H,6H,7H-thieno[2,3-c]pyridin-3-yl]-4-methylpentyl}-1-[(4-methylphenyl)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

E635-0431

Molecular Formula

C28H38N4OS (C28 H38 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC1)Cc2c1c(C(CCC(C)C)NC(NCc1ccc(C)cc1)=O)c(-n1cccc1)s2

InChI

InChI=1S/C28H38N4OS/c1-5-31-17-14-23-25(19-31)34-27(32-15-6-7-16-32)26(23)24(13-8-20(2)3)30-28(33)29-18-22-11-9-21(4)10-12-22/h6-7,9-12,15-16,20,24H,5,8,13-14,17-19H2,1-4H3,(H2,29,30,33)/t24-/m0/s1

InChI Key

DHKOSQDIEVGQFP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14905981

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.7

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.903

Distribution Coefficient, logD

3.190

Water Solubility, LogSw

-5.31

Polar Surface Area

43.262

Acid Dissociation Constant (pKa)

12.96

Base Dissociation Constant (pKb)

10.11

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with E635-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E635-0431?
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What is the minimum amount of E635-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E635-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E635-0431
  • 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 E635-0431 available by request