5182-3104 Screening compound: 3-[4-(carbamimidamidosulfonyl)phenyl]-1-(3,4-dimethoxybenzoyl)thiourea

5182-3104 Screening compound: 3-[4-(carbamimidamidosulfonyl)phenyl]-1-(3,4-dimethoxybenzoyl)thiourea
5182-3104 Screening compound: 3-[4-(carbamimidamidosulfonyl)phenyl]-1-(3,4-dimethoxybenzoyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 5182-3104
3-[4-(carbamimidamidosulfonyl)phenyl]-1-(3,4-dimethoxybenzoyl)thiourea

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

5182-3104

Molecular Formula

C17H19N5O5S2 (C17 H19 N5 O5 S2)

Compound Name

3-[4-(carbamimidamidosulfonyl)phenyl]-1-(3,4-dimethoxybenzoyl)thiourea

IUPAC name

3-[4-(carbamimidamidosulfonyl)phenyl]-1-(34-dimethoxybenzoyl)thiourea

SMILES

COc(ccc(C(NC(Nc(cc1)ccc1S(NC(N)=N)(=O)=O)=S)=O)c1)c1OC

InChI

InChI=1S/C17H19N5O5S2/c1-26-13-8-3-10(9-14(13)27-2)15(23)21-17(28)20-11-4-6-12(7-5-11)29(24,25)22-16(18)19/h3-9H,1-2H3,(H4,18,19,22)(H2,20,21,23,28)

InChI Key

HLIYBGCHJDHXTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01984398

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

6.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

0.745

Distribution Coefficient, logD

0.745

Water Solubility, LogSw

-2.22

Polar Surface Area

129.075

Acid Dissociation Constant (pKa)

9.15

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

5182-3104 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5182-3104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5182-3104?
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What is the minimum amount of 5182-3104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5182-3104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5182-3104
  • 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 5182-3104 available by request