E002-1804 Screening compound: ethyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate

E002-1804 Screening compound: ethyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate
E002-1804 Screening compound: ethyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E002-1804
ethyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}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

E002-1804

Molecular Formula

C20H29N5O3S (C20 H29 N5 O3 S)

Compound Name

ethyl 4-[({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamoyl)amino]benzoate

IUPAC name

ethyl 4-[({5-[bis(2-methylpropyl)amino]-134-thiadiazol-2-yl}carbamoyl)amino]benzoate

SMILES

CCOC(c(cc1)ccc1NC(Nc1nnc(N(CC(C)C)CC(C)C)s1)=O)=O

InChI

InChI=1S/C20H29N5O3S/c1-6-28-17(26)15-7-9-16(10-8-15)21-18(27)22-19-23-24-20(29-19)25(11-13(2)3)12-14(4)5/h7-10,13-14H,6,11-12H2,1-5H3,(H2,21,22,23,27)

InChI Key

ZVFOOLBNARVBOJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14835541

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.979

Distribution Coefficient, logD

5.979

Water Solubility, LogSw

-5.52

Polar Surface Area

79.942

Acid Dissociation Constant (pKa)

11.46

Base Dissociation Constant (pKb)

2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

E002-1804 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E002-1804 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E002-1804?
Check Price and Availability of E002-1804, 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 E002-1804 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E002-1804
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E002-1804
  • 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 E002-1804 available by request